benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate

C24H23NO3 — CID 11462941

IUPACbenzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCc1ccc(C(CC(=O)c2ccccc2)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-18-12-14-20(15-13-18)22(16-23(26)21-10-6-3-7-11-21)25-24(27)28-17-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyDESZYOWPVXUWPR-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.24
Rot. Bonds7

About benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate

benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate (PubChem CID 11462941) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate
PubChem CID11462941
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namebenzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCc1ccc(C(CC(=O)c2ccccc2)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-18-12-14-20(15-13-18)22(16-23(26)21-10-6-3-7-11-21)25-24(27)28-17-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyDESZYOWPVXUWPR-UHFFFAOYSA-N
XLogP5.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((((Benzyloxy)carbonyl)amino)methyl)benzoic acid
CID 1479997
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
CID 81781
CID 137651934
CID 137651934
benzyl N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenyloct-4-en-3-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 155526723
{(S)-1-[(S)-1-((S)-2-Benzoylamino-1-formyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CID 516005
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
4-(Phenyl-piperazin-1-yl-methyl)-benzoic acid methyl ester
CID 10804905
cyclohexylmethyl 6-ethyl-4-(4-methoxycarbonylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 57398338
Methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate
CID 2364636
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647
Ethyl 4-[(benzylamino)methyl]benzoate
CID 5053991

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate?
The IUPAC name of benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate (CID 11462941) is benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate?
The canonical SMILES for benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate is Cc1ccc(C(CC(=O)c2ccccc2)NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate?
The InChIKey is DESZYOWPVXUWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18-12-14-20(15-13-18)22(16-23(26)21-10-6-3-7-11-21)25-24(27)28-17-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,27).
What are the key properties of benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate?
benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate has a molecular weight of 373.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-methylphenyl)-3-oxo-3-phenylpropyl]carbamate is sourced from PubChem (CID 11462941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).