N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide

C18H20N2O2 — CID 94041793

IUPACN-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-19-17(21)13-16(14-9-5-3-6-10-14)20-18(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyVKFGWYJXRKOMLM-INIZCTEOSA-N
MW296.37 g/mol
LogP2.68
Rot. Bonds6

About N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 94041793) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID94041793
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-19-17(21)13-16(14-9-5-3-6-10-14)20-18(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyVKFGWYJXRKOMLM-INIZCTEOSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
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
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 8809612
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
S-ethyl 3-benzamido-3-phenylpropanethioate
CID 11758800

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide (CID 94041793) is N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide is CCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is VKFGWYJXRKOMLM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-19-17(21)13-16(14-9-5-3-6-10-14)20-18(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 94041793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).