benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate

C23H21NO2 — CID 169472386

IUPACbenzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccc(-c2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C23H21NO2/c25-23(26-18-20-9-3-1-4-10-20)24-16-8-12-19-11-7-15-22(17-19)21-13-5-2-6-14-21/h1-15,17H,16,18H2,(H,24,25)
InChIKeyVOKLXFAMHDDUEN-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.29
Rot. Bonds6

About benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate (PubChem CID 169472386) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
PubChem CID169472386
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Namebenzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccc(-c2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C23H21NO2/c25-23(26-18-20-9-3-1-4-10-20)24-16-8-12-19-11-7-15-22(17-19)21-13-5-2-6-14-21/h1-15,17H,16,18H2,(H,24,25)
InChIKeyVOKLXFAMHDDUEN-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[3-(3-propan-2-ylsulfonylphenyl)prop-2-enyl]carbamate
CID 169472440
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enyl]carbamate
CID 169472409
benzyl N-[3-[3-(trifluoromethylsulfanyl)phenyl]prop-2-enyl]carbamate
CID 169472113
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]naphthalene-2-carboxylic acid
CID 169472555
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
2,6-difluoro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472166
benzyl N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]carbamate
CID 169472370
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate (CID 169472386) is benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1cccc(-c2ccccc2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate?
The InChIKey is VOKLXFAMHDDUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-23(26-18-20-9-3-1-4-10-20)24-16-8-12-19-11-7-15-22(17-19)21-13-5-2-6-14-21/h1-15,17H,16,18H2,(H,24,25).
What are the key properties of benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).