benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate

C21H19NO2 — CID 169471773

IUPACbenzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1cccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(24-16-17-8-2-1-3-9-17)22-15-7-13-19-12-6-11-18-10-4-5-14-20(18)19/h1-14H,15-16H2,(H,22,23)
InChIKeyBODBEVRHIBEZFI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.78
Rot. Bonds5

About benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate

benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate (PubChem CID 169471773) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
PubChem CID169471773
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Namebenzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1cccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(24-16-17-8-2-1-3-9-17)22-15-7-13-19-12-6-11-18-10-4-5-14-20(18)19/h1-14H,15-16H2,(H,22,23)
InChIKeyBODBEVRHIBEZFI-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
CID 169472312
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
2-chloro-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471850
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
benzyl N-[3-(2-methyl-3-nitrophenyl)prop-2-enyl]carbamate
CID 169472067

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate?
The IUPAC name of benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate (CID 169471773) is benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate.
What is the SMILES notation for benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate?
The canonical SMILES for benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate is O=C(NCC=Cc1cccc2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate?
The InChIKey is BODBEVRHIBEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(24-16-17-8-2-1-3-9-17)22-15-7-13-19-12-6-11-18-10-4-5-14-20(18)19/h1-14H,15-16H2,(H,22,23).
What are the key properties of benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate?
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate has a molecular weight of 317.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate is sourced from PubChem (CID 169471773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).