benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate

C18H20N2O2 — CID 169471327

IUPACbenzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
SMILESCNc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-19-17-11-9-15(10-12-17)8-5-13-20-18(21)22-14-16-6-3-2-4-7-16/h2-12,19H,13-14H2,1H3,(H,20,21)
InChIKeyMXXBTEOVZJAANS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.67
Rot. Bonds6

About benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate

benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate (PubChem CID 169471327) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
PubChem CID169471327
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namebenzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
SMILESCNc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-19-17-11-9-15(10-12-17)8-5-13-20-18(21)22-14-16-6-3-2-4-7-16/h2-12,19H,13-14H2,1H3,(H,20,21)
InChIKeyMXXBTEOVZJAANS-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
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-butylphenyl)prop-2-enyl]carbamate
CID 169471837
benzyl N-[3-(4-isocyanatophenyl)prop-2-enyl]carbamate
CID 169471719
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate
CID 169472519
benzyl N-[3-(4-heptoxyphenyl)prop-2-enyl]carbamate
CID 169472791
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate (CID 169471327) is benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate is CNc1ccc(C=CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate?
The InChIKey is MXXBTEOVZJAANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-19-17-11-9-15(10-12-17)8-5-13-20-18(21)22-14-16-6-3-2-4-7-16/h2-12,19H,13-14H2,1H3,(H,20,21).
What are the key properties of benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169471327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).