N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide

C18H20N2O2 — CID 40591318

IUPACN-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCN(C)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-20(2)17(21)13-16(14-9-5-3-6-10-14)19-18(22)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyHEHHRUUSBBKRJZ-MRXNPFEDSA-N
MW296.37 g/mol
LogP2.64
Rot. Bonds5

About N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 40591318) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID40591318
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCN(C)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-20(2)17(21)13-16(14-9-5-3-6-10-14)19-18(22)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyHEHHRUUSBBKRJZ-MRXNPFEDSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
4-[(3-benzamido-3-phenylpropanoyl)-methylamino]butanoic acid
CID 119173149
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46647738
N-[(1R)-3-[bis(cyanomethyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 95595436
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide (CID 40591318) is N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide is CN(C)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is HEHHRUUSBBKRJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(2)17(21)13-16(14-9-5-3-6-10-14)19-18(22)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 40591318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).