benzyl N-(4-acetylphenyl)carbamate

C16H15NO3 — CID 2994007

IUPACbenzyl N-(4-acetylphenyl)carbamate
SMILESCC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)14-7-9-15(10-8-14)17-16(19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyNOHXJNWKJRULHU-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.64
Rot. Bonds4

About benzyl N-(4-acetylphenyl)carbamate

benzyl N-(4-acetylphenyl)carbamate (PubChem CID 2994007) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is benzyl N-(4-acetylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-acetylphenyl)carbamate
PubChem CID2994007
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namebenzyl N-(4-acetylphenyl)carbamate
SMILESCC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)14-7-9-15(10-8-14)17-16(19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyNOHXJNWKJRULHU-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-methyl-4-oxo-4-[4-(phenylmethoxycarbonylamino)phenyl]but-2-enoic acid
CID 10806988
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl 4-acetylbenzoate
CID 590101
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
molecular hydrogen;[4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 161029288
benzyl N-[(2S)-1-(4-acetylanilino)-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 70792386
benzyl N-(4-isocyanatophenyl)carbamate
CID 169355606
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-acetylphenyl)carbamate?
The IUPAC name of benzyl N-(4-acetylphenyl)carbamate (CID 2994007) is benzyl N-(4-acetylphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-acetylphenyl)carbamate?
The canonical SMILES for benzyl N-(4-acetylphenyl)carbamate is CC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-acetylphenyl)carbamate?
The InChIKey is NOHXJNWKJRULHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(18)14-7-9-15(10-8-14)17-16(19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of benzyl N-(4-acetylphenyl)carbamate?
benzyl N-(4-acetylphenyl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-acetylphenyl)carbamate is sourced from PubChem (CID 2994007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).