3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide

C17H23N3O4 — CID 70315122

IUPAC3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
SMILESCCCC(N)C(=O)C(=O)NCC(=O)NC(C(C)=O)c1ccccc1
InChIInChI=1S/C17H23N3O4/c1-3-7-13(18)16(23)17(24)19-10-14(22)20-15(11(2)21)12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10,18H2,1-2H3,(H,19,24)(H,20,22)
InChIKeySMQFEERCCGNGPY-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.25
Rot. Bonds9

About 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide

3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide (PubChem CID 70315122) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide.

Molecular Properties

Compound Name3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
PubChem CID70315122
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
SMILESCCCC(N)C(=O)C(=O)NCC(=O)NC(C(C)=O)c1ccccc1
InChIInChI=1S/C17H23N3O4/c1-3-7-13(18)16(23)17(24)19-10-14(22)20-15(11(2)21)12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10,18H2,1-2H3,(H,19,24)(H,20,22)
InChIKeySMQFEERCCGNGPY-UHFFFAOYSA-N
XLogP0.25
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[[2-[[3-(methylamino)-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate
CID 142090678
tert-butyl 2-[(3-amino-2-oxohexanoyl)amino]-2-phenylacetate
CID 70838359
3-amino-5-methyl-N-[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-oxohexanamide
CID 70315104
3-amino-N-[2-[[1-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-2-oxopropyl]amino]-2-oxoethyl]-2-oxohexanamide
CID 70322009
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
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
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
2-methylpropyl N-[2-[(2S)-2-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]-2,5-dihydropyrrol-1-yl]-2-oxoethyl]carbamate
CID 70318679
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide
CID 143315083
(3S)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-ethyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide
CID 58605320

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide?
The IUPAC name of 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide (CID 70315122) is 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide.
What is the SMILES notation for 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide?
The canonical SMILES for 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide is CCCC(N)C(=O)C(=O)NCC(=O)NC(C(C)=O)c1ccccc1.
What is the InChIKey of 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide?
The InChIKey is SMQFEERCCGNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-7-13(18)16(23)17(24)19-10-14(22)20-15(11(2)21)12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10,18H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide?
3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide has a molecular weight of 333.39 g/mol, XLogP of 0.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide is sourced from PubChem (CID 70315122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).