benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate

C18H19NO2 — CID 58839422

IUPACbenzyl N-[(Z)-1-phenylbut-1-enyl]carbamate
SMILESCC/C=C(\NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-13H,2,14H2,1H3,(H,19,20)/b17-9-
InChIKeyKGFDCSHALAFOEC-MFOYZWKCSA-N
MW281.36 g/mol
LogP4.36
Rot. Bonds5

About benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate

benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate (PubChem CID 58839422) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(Z)-1-phenylbut-1-enyl]carbamate
PubChem CID58839422
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl N-[(Z)-1-phenylbut-1-enyl]carbamate
SMILESCC/C=C(\NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-13H,2,14H2,1H3,(H,19,20)/b17-9-
InChIKeyKGFDCSHALAFOEC-MFOYZWKCSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diphenyl-4-oxazolin-2-one
CID 151245
Benzyl 1-phenylethylcarbamate
CID 9837961
Carbamic acid, (2-methylphenyl)-, phenylmethyl ester
CID 895304
benzyl N-[cyano(phenyl)methyl]carbamate
CID 3745043
Benzyl benzylcarbamate
CID 4935691
benzyl N-(4-selenocyanatophenyl)carbamate
CID 118729595
Benzyl phenethylcarbamate
CID 4779135
Benzyl phenylcarbamate
CID 319368
(3-Fluorophenyl)carbamic acid benzyl ester
CID 895321
3-Methyl-4,5-diphenyl-1,3-oxazol-2(3H)-one
CID 12345609
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate
CID 95241701
Carbamic acid, (4-methylphenyl)-, phenylmethyl ester
CID 562148

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate?
The IUPAC name of benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate (CID 58839422) is benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate.
What is the SMILES notation for benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate?
The canonical SMILES for benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate is CC/C=C(\NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate?
The InChIKey is KGFDCSHALAFOEC-MFOYZWKCSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-13H,2,14H2,1H3,(H,19,20)/b17-9-.
What are the key properties of benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate?
benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate is sourced from PubChem (CID 58839422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).