3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide

C75H115N11O16 — CID 91486659

IUPAC3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide
SMILESCCCC(C)C(=O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)O.CCCC(N)C(=O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(N)C(O)C(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H26N2O3.C17H24N2O3.C16H25N3O3.C16H23N3O3.C9H17NO4/c2*1-4-8-12(2)16(21)17(22)18-11-15(20)19-13(3)14-9-6-5-7-10-14;2*1-3-7-13(17)15(21)16(22)18-10-14(20)19-11(2)12-8-5-4-6-9-12;1-3-4-6(2)8(13)9(14)10-5-7(11)12/h5-7,9-10,12-13,16,21H,4,8,11H2,1-3H3,(H,18,22)(H,19,20);5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,18,22)(H,19,20);4-6,8-9,11,13,15,21H,3,7,10,17H2,1-2H3,(H,18,22)(H,19,20);4-6,8-9,11,13H,3,7,10,17H2,1-2H3,(H,18,22)(H,19,20);6,8,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyUHENSBIWXJOKNO-UHFFFAOYSA-N
MW1426.81 g/mol
LogP4.89
Rot. Bonds38

About 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide

3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide (PubChem CID 91486659) has the molecular formula C75H115N11O16 and a molecular weight of 1426.81 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide
PubChem CID91486659
Molecular FormulaC75H115N11O16
Molecular Weight1426.81 g/mol
Exact Mass1425.85
IUPAC Name3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide
SMILESCCCC(C)C(=O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)O.CCCC(N)C(=O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(N)C(O)C(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H26N2O3.C17H24N2O3.C16H25N3O3.C16H23N3O3.C9H17NO4/c2*1-4-8-12(2)16(21)17(22)18-11-15(20)19-13(3)14-9-6-5-7-10-14;2*1-3-7-13(17)15(21)16(22)18-10-14(20)19-11(2)12-8-5-4-6-9-12;1-3-4-6(2)8(13)9(14)10-5-7(11)12/h5-7,9-10,12-13,16,21H,4,8,11H2,1-3H3,(H,18,22)(H,19,20);5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,18,22)(H,19,20);4-6,8-9,11,13,15,21H,3,7,10,17H2,1-2H3,(H,18,22)(H,19,20);4-6,8-9,11,13H,3,7,10,17H2,1-2H3,(H,18,22)(H,19,20);6,8,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyUHENSBIWXJOKNO-UHFFFAOYSA-N
XLogP4.89
TPSA446.07 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.81
LogP ≤ 54.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide with MolForge

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Related Compounds

3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride
CID 159999863
2-hydroxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 158166842
(2S)-2-amino-N-methyl-2-phenylacetamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;methane;hydrochloride
CID 159106601
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
CID 70315122
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
bis((4R)-6-amino-4,5-dihydroxy-N-[(1R)-1-phenylethyl]nonanamide);bis(chloro(diazenyl)diazene);(4R)-4,5-dihydroxy-6-methyl-N-[(1R)-1-phenylethyl]nonanamide;1-hydroperoxybenzotriazole;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;(4R)-4-hydroxy-6-methyl-5-oxo-N-[(1R)-1-phenylethyl]nonanamide;dihydrochloride
CID 159983878
2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 112992317
propan-2-yl 2-[[2-[[3-(methylamino)-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate
CID 142090678
(3S)-3-amino-N-[2-[[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-hydroxyhexanamide
CID 87495872
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693
(E)-N-[(2S)-1-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-7-methyl-2-propan-2-yloct-4-enamide
CID 59918527

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide (CID 91486659) is 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide is CCCC(C)C(=O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(C)C(O)C(=O)NCC(=O)O.CCCC(N)C(=O)C(=O)NCC(=O)NC(C)c1ccccc1.CCCC(N)C(O)C(=O)NCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide?
The InChIKey is UHENSBIWXJOKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.C17H24N2O3.C16H25N3O3.C16H23N3O3.C9H17NO4/c2*1-4-8-12(2)16(21)17(22)18-11-15(20)19-13(3)14-9-6-5-7-10-14;2*1-3-7-13(17)15(21)16(22)18-10-14(20)19-11(2)12-8-5-4-6-9-12;1-3-4-6(2)8(13)9(14)10-5-7(11)12/h5-7,9-10,12-13,16,21H,4,8,11H2,1-3H3,(H,18,22)(H,19,20);5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,18,22)(H,19,20);4-6,8-9,11,13,15,21H,3,7,10,17H2,1-2H3,(H,18,22)(H,19,20);4-6,8-9,11,13H,3,7,10,17H2,1-2H3,(H,18,22)(H,19,20);6,8,13H,3-5H2,1-2H3,(H,10,14)(H,11,12).
What are the key properties of 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide?
3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide has a molecular weight of 1426.81 g/mol, XLogP of 4.89, 38 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide is sourced from PubChem (CID 91486659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).