N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide

C20H23N3O3 — CID 9224578

IUPACN-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCCNC(=O)CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-21-19(25)14-22-18(24)13-17(15-9-5-3-6-10-15)23-20(26)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t17-/m1/s1
InChIKeyRFDRSYKWWIISJR-QGZVFWFLSA-N
MW353.42 g/mol
LogP1.80
Rot. Bonds8

About N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 9224578) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID9224578
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCCNC(=O)CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-21-19(25)14-22-18(24)13-17(15-9-5-3-6-10-15)23-20(26)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t17-/m1/s1
InChIKeyRFDRSYKWWIISJR-QGZVFWFLSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 8809612
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
N-[3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 58965385
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
(2R)-2-[[(3S)-3-benzamido-3-phenylpropanoyl]amino]pentanoic acid
CID 100650906
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
2-[(3-benzamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119188451

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 9224578) is N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide is CCNC(=O)CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is RFDRSYKWWIISJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-21-19(25)14-22-18(24)13-17(15-9-5-3-6-10-15)23-20(26)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 9224578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).