benzyl N-[(3-methoxyphenyl)methyl]carbamate

C16H17NO3 — CID 110779928

IUPACbenzyl N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-15-9-5-8-14(10-15)11-17-16(18)20-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyLPQBJLDDTQPKNZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.12
Rot. Bonds5

About benzyl N-[(3-methoxyphenyl)methyl]carbamate

benzyl N-[(3-methoxyphenyl)methyl]carbamate (PubChem CID 110779928) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is benzyl N-[(3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-methoxyphenyl)methyl]carbamate
PubChem CID110779928
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebenzyl N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-15-9-5-8-14(10-15)11-17-16(18)20-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyLPQBJLDDTQPKNZ-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 16564846
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
3-(phenylmethoxycarbonylamino)propyl N-[[3-[[3-(phenylmethoxycarbonylamino)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 118581814
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
benzyl N-[(3-formamidophenyl)methyl]carbamate
CID 86609841
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-methoxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(3-methoxyphenyl)methyl]carbamate (CID 110779928) is benzyl N-[(3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(3-methoxyphenyl)methyl]carbamate is COc1cccc(CNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[(3-methoxyphenyl)methyl]carbamate?
The InChIKey is LPQBJLDDTQPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-9-5-8-14(10-15)11-17-16(18)20-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of benzyl N-[(3-methoxyphenyl)methyl]carbamate?
benzyl N-[(3-methoxyphenyl)methyl]carbamate has a molecular weight of 271.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 110779928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).