benzyl N-(2-benzylprop-2-enoyl)carbamate

C18H17NO3 — CID 139252882

IUPACbenzyl N-(2-benzylprop-2-enoyl)carbamate
SMILESC=C(Cc1ccccc1)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H17NO3/c1-14(12-15-8-4-2-5-9-15)17(20)19-18(21)22-13-16-10-6-3-7-11-16/h2-11H,1,12-13H2,(H,19,20,21)
InChIKeyQBHZLDMDBPGSSJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.24
Rot. Bonds5

About benzyl N-(2-benzylprop-2-enoyl)carbamate

benzyl N-(2-benzylprop-2-enoyl)carbamate (PubChem CID 139252882) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is benzyl N-(2-benzylprop-2-enoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-benzylprop-2-enoyl)carbamate
PubChem CID139252882
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namebenzyl N-(2-benzylprop-2-enoyl)carbamate
SMILESC=C(Cc1ccccc1)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H17NO3/c1-14(12-15-8-4-2-5-9-15)17(20)19-18(21)22-13-16-10-6-3-7-11-16/h2-11H,1,12-13H2,(H,19,20,21)
InChIKeyQBHZLDMDBPGSSJ-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
Benzyl ((2-benzylprop-2-enoyl)amino)acetate
CID 13242778
3-benzyl-6-phenylmethoxy-1H-pyridin-2-one
CID 25167902
Benzyl {4-oxo-4-[(2-phenylethyl)amino]butyl}carbamate
CID 90024759
benzyl N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]carbamate
CID 57387296
Z-Phe-NH
CID 3800796
benzyl N-methacryloylcarbamate
CID 11321946
Benzyl (2-oxo-2-phenylethyl)carbamate
CID 13371503
Benzyl benzoylcarbamate
CID 14266440
benzyl N-(8-oxooctyl)carbamate
CID 18991572
benzyl N-(2-oxo-4-phenylbutyl)carbamate
CID 21467340
benzyl N-[5-oxo-5-(2-phenylethylamino)pentyl]carbamate
CID 91306837

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-benzylprop-2-enoyl)carbamate?
The IUPAC name of benzyl N-(2-benzylprop-2-enoyl)carbamate (CID 139252882) is benzyl N-(2-benzylprop-2-enoyl)carbamate.
What is the SMILES notation for benzyl N-(2-benzylprop-2-enoyl)carbamate?
The canonical SMILES for benzyl N-(2-benzylprop-2-enoyl)carbamate is C=C(Cc1ccccc1)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-benzylprop-2-enoyl)carbamate?
The InChIKey is QBHZLDMDBPGSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-14(12-15-8-4-2-5-9-15)17(20)19-18(21)22-13-16-10-6-3-7-11-16/h2-11H,1,12-13H2,(H,19,20,21).
What are the key properties of benzyl N-(2-benzylprop-2-enoyl)carbamate?
benzyl N-(2-benzylprop-2-enoyl)carbamate has a molecular weight of 295.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-benzylprop-2-enoyl)carbamate is sourced from PubChem (CID 139252882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).