N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide

C19H21NO — CID 6923903

IUPACN-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-14-8-10-17(11-9-14)19(21)20(15(2)16-12-13-16)18-6-4-3-5-7-18/h3-11,15-16H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyAJAHVOOIXVWZQE-HNNXBMFYSA-N
MW279.38 g/mol
LogP4.44
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide

N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide (PubChem CID 6923903) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
PubChem CID6923903
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-14-8-10-17(11-9-14)19(21)20(15(2)16-12-13-16)18-6-4-3-5-7-18/h3-11,15-16H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyAJAHVOOIXVWZQE-HNNXBMFYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid
CID 42108646
N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
CID 4522146
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide
CID 52535085
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 43833720
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 122136174
N-benzoyl-4-methylbenzohydrazide
CID 174274321
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
3-[1-cyclopropylethyl(methyl)amino]benzoic acid
CID 102822708
[3-[benzoyl(1-cyclopropylethyl)amino]-2-fluorophenyl] carbamate
CID 174918870
N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide
CID 160984605

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide (CID 6923903) is N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)cc1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide?
The InChIKey is AJAHVOOIXVWZQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-8-10-17(11-9-14)19(21)20(15(2)16-12-13-16)18-6-4-3-5-7-18/h3-11,15-16H,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide?
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 6923903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).