benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate

C23H21NO3 — CID 11152578

IUPACbenzyl N-(3-oxo-1,3-diphenylpropyl)carbamate
SMILESO=C(NC(CC(=O)c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)24-23(26)27-17-18-10-4-1-5-11-18/h1-15,21H,16-17H2,(H,24,26)
InChIKeyGLJUHMKHQQMWHP-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.93
Rot. Bonds7

About benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate

benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate (PubChem CID 11152578) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-oxo-1,3-diphenylpropyl)carbamate
PubChem CID11152578
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namebenzyl N-(3-oxo-1,3-diphenylpropyl)carbamate
SMILESO=C(NC(CC(=O)c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)24-23(26)27-17-18-10-4-1-5-11-18/h1-15,21H,16-17H2,(H,24,26)
InChIKeyGLJUHMKHQQMWHP-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
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
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
{(S)-1-[(S)-1-((S)-2-Benzoylamino-1-formyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CID 516005
methyl 4-[(Z,4R)-2-fluoro-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-5-[(4-phenylphenyl)methylamino]pent-2-enyl]benzoate
CID 5459580
methyl 4-[(E)-1-(2-methylpropoxycarbonylamino)-2-propylhex-2-enyl]benzoate
CID 5771847
[(R)-1-Methyl-2-phenyl-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid (R)-2-methyl-1-phenyl-propyl ester
CID 10504093
[2''-(1-Carbamoyl-3-methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11070755
benzyl N-[[3-methyl-2-[2-methyl-6-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 11826630
benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 40727876

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate?
The IUPAC name of benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate (CID 11152578) is benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate.
What is the SMILES notation for benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate?
The canonical SMILES for benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate is O=C(NC(CC(=O)c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate?
The InChIKey is GLJUHMKHQQMWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)24-23(26)27-17-18-10-4-1-5-11-18/h1-15,21H,16-17H2,(H,24,26).
What are the key properties of benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate?
benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate has a molecular weight of 359.43 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-oxo-1,3-diphenylpropyl)carbamate is sourced from PubChem (CID 11152578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).