N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide

C24H24N2O2 — CID 2442272

IUPACN-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-18-9-8-14-21(17-18)24(28)25-16-15-22(27)26-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,23H,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyPUSNUBJOKMNLLB-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.02
Rot. Bonds7

About N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide

N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide (PubChem CID 2442272) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
PubChem CID2442272
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-18-9-8-14-21(17-18)24(28)25-16-15-22(27)26-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,23H,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyPUSNUBJOKMNLLB-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
methyl 4-methyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]pentanoate
CID 51064933
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
3-methyl-N-phenacylbenzamide
CID 3417494

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide (CID 2442272) is N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is PUSNUBJOKMNLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-9-8-14-21(17-18)24(28)25-16-15-22(27)26-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,23H,15-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide?
N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 2442272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).