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

C16H16N2O3 — CID 86609841

IUPACbenzyl N-[(3-formamidophenyl)methyl]carbamate
SMILESO=CNc1cccc(CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c19-12-18-15-8-4-7-14(9-15)10-17-16(20)21-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,17,20)(H,18,19)
InChIKeyKOZJZBXFVWZEBO-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.68
Rot. Bonds6

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

benzyl N-[(3-formamidophenyl)methyl]carbamate (PubChem CID 86609841) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is benzyl N-[(3-formamidophenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-formamidophenyl)methyl]carbamate
PubChem CID86609841
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namebenzyl N-[(3-formamidophenyl)methyl]carbamate
SMILESO=CNc1cccc(CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c19-12-18-15-8-4-7-14(9-15)10-17-16(20)21-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,17,20)(H,18,19)
InChIKeyKOZJZBXFVWZEBO-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
3-(phenylmethoxycarbonylamino)propyl N-[[3-[[3-(phenylmethoxycarbonylamino)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 118581814
N-[3-[(phenacylamino)methyl]phenyl]formamide
CID 58789041
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl 4-formamidobenzoate
CID 100979442

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-formamidophenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(3-formamidophenyl)methyl]carbamate (CID 86609841) is benzyl N-[(3-formamidophenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(3-formamidophenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(3-formamidophenyl)methyl]carbamate is O=CNc1cccc(CNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[(3-formamidophenyl)methyl]carbamate?
The InChIKey is KOZJZBXFVWZEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-12-18-15-8-4-7-14(9-15)10-17-16(20)21-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,17,20)(H,18,19).
What are the key properties of benzyl N-[(3-formamidophenyl)methyl]carbamate?
benzyl N-[(3-formamidophenyl)methyl]carbamate has a molecular weight of 284.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-formamidophenyl)methyl]carbamate is sourced from PubChem (CID 86609841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).