N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide

C17H26N4O4 — CID 142110705

IUPACN-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
SMILESCCCC(NC)C(O)C(=O)NCC(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C17H26N4O4/c1-3-7-12(19-2)15(23)17(25)20-10-13(22)21-14(16(18)24)11-8-5-4-6-9-11/h4-6,8-9,12,14-15,19,23H,3,7,10H2,1-2H3,(H2,18,24)(H,20,25)(H,21,22)
InChIKeyOXLWKVSYCTZWDO-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.81
Rot. Bonds10

About N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide

N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide (PubChem CID 142110705) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
PubChem CID142110705
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
SMILESCCCC(NC)C(O)C(=O)NCC(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C17H26N4O4/c1-3-7-12(19-2)15(23)17(25)20-10-13(22)21-14(16(18)24)11-8-5-4-6-9-11/h4-6,8-9,12,14-15,19,23H,3,7,10H2,1-2H3,(H2,18,24)(H,20,25)(H,21,22)
InChIKeyOXLWKVSYCTZWDO-UHFFFAOYSA-N
XLogP-0.81
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamic acid
CID 68554414
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
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
tert-butyl 2-[[2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetyl]amino]-2-phenylacetate
CID 20752683
(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-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978
propan-2-yl 2-[[2-[[3-(methylamino)-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate
CID 142090678
CID 159961428
CID 159961428
2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid
CID 142090596
(2R)-2-[[2-(benzylcarbamoylamino)acetyl]amino]-2-phenylacetamide
CID 41433363
3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
CID 70315122

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide?
The IUPAC name of N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide (CID 142110705) is N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide.
What is the SMILES notation for N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide?
The canonical SMILES for N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide is CCCC(NC)C(O)C(=O)NCC(=O)NC(C(N)=O)c1ccccc1.
What is the InChIKey of N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide?
The InChIKey is OXLWKVSYCTZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-7-12(19-2)15(23)17(25)20-10-13(22)21-14(16(18)24)11-8-5-4-6-9-11/h4-6,8-9,12,14-15,19,23H,3,7,10H2,1-2H3,(H2,18,24)(H,20,25)(H,21,22).
What are the key properties of N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide?
N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide has a molecular weight of 350.42 g/mol, XLogP of -0.81, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide is sourced from PubChem (CID 142110705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).