3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide

C19H30N4O4 — CID 59907004

IUPAC3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
SMILESCCCCC(N)C(O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H30N4O4/c1-4-5-11-14(20)17(25)18(26)21-12-15(24)22-16(19(27)23(2)3)13-9-7-6-8-10-13/h6-10,14,16-17,25H,4-5,11-12,20H2,1-3H3,(H,21,26)(H,22,24)/t14?,16-,17?/m0/s1
InChIKeyJUDIXCKDSAUUOZ-WIHSUSGWSA-N
MW378.47 g/mol
LogP-0.07
Rot. Bonds10

About 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide

3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide (PubChem CID 59907004) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide.

Molecular Properties

Compound Name3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
PubChem CID59907004
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
SMILESCCCCC(N)C(O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H30N4O4/c1-4-5-11-14(20)17(25)18(26)21-12-15(24)22-16(19(27)23(2)3)13-9-7-6-8-10-13/h6-10,14,16-17,25H,4-5,11-12,20H2,1-3H3,(H,21,26)(H,22,24)/t14?,16-,17?/m0/s1
InChIKeyJUDIXCKDSAUUOZ-WIHSUSGWSA-N
XLogP-0.07
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide with MolForge

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Related Compounds

3-amino-4-cyclopropyl-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxybutanamide;hydrochloride
CID 11661558
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid
CID 142090596
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
(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
CID 58263305
(3S)-3-amino-N-[2-[[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-hydroxyhexanamide
CID 87495872
(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 143355989
tert-butyl 2-[[2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetyl]amino]-2-phenylacetate
CID 20752683
[(3S)-1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamic acid
CID 68554414
N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
CID 142110705
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
CID 142091069
2-[(2-formamidoacetyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 143314684

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide?
The IUPAC name of 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide (CID 59907004) is 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide.
What is the SMILES notation for 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide?
The canonical SMILES for 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide is CCCCC(N)C(O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide?
The InChIKey is JUDIXCKDSAUUOZ-WIHSUSGWSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-4-5-11-14(20)17(25)18(26)21-12-15(24)22-16(19(27)23(2)3)13-9-7-6-8-10-13/h6-10,14,16-17,25H,4-5,11-12,20H2,1-3H3,(H,21,26)(H,22,24)/t14?,16-,17?/m0/s1.
What are the key properties of 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide?
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide has a molecular weight of 378.47 g/mol, XLogP of -0.07, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide is sourced from PubChem (CID 59907004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).