benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate

C24H23NO3 — CID 102356557

IUPACbenzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate
SMILESC=Cc1c(OC)cccc1N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H23NO3/c1-3-21-22(15-10-16-23(21)27-2)25(17-19-11-6-4-7-12-19)24(26)28-18-20-13-8-5-9-14-20/h3-16H,1,17-18H2,2H3
InChIKeyRDGPLBKYVHELAW-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.68
Rot. Bonds7

About benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate

benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate (PubChem CID 102356557) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate
PubChem CID102356557
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namebenzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate
SMILESC=Cc1c(OC)cccc1N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H23NO3/c1-3-21-22(15-10-16-23(21)27-2)25(17-19-11-6-4-7-12-19)24(26)28-18-20-13-8-5-9-14-20/h3-16H,1,17-18H2,2H3
InChIKeyRDGPLBKYVHELAW-UHFFFAOYSA-N
XLogP5.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-N-(2-methoxyphenyl)acetamide
CID 39369464
benzyl N-benzyl-N-[1-[3-[benzyl(phenylmethoxycarbonyl)amino]-2-hydroxyphenyl]sulfanylpropyl]carbamate
CID 21147239
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate
CID 71305163
N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide
CID 5037434
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
2-ethenyl-3-methoxybenzamide
CID 177056846
benzyl N-ethyl-N-propylcarbamate
CID 126656974
tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
CID 10472618
(2R,3S)-3-methoxy-2-[methyl(phenylmethoxycarbonyl)amino]pent-4-enoic acid
CID 50900716

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate?
The IUPAC name of benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate (CID 102356557) is benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate?
The canonical SMILES for benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate is C=Cc1c(OC)cccc1N(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate?
The InChIKey is RDGPLBKYVHELAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-3-21-22(15-10-16-23(21)27-2)25(17-19-11-6-4-7-12-19)24(26)28-18-20-13-8-5-9-14-20/h3-16H,1,17-18H2,2H3.
What are the key properties of benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate?
benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate has a molecular weight of 373.45 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-(2-ethenyl-3-methoxyphenyl)carbamate is sourced from PubChem (CID 102356557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).