benzyl N-amino-N-(3-methoxyphenyl)carbamate

C15H16N2O3 — CID 70405892

IUPACbenzyl N-amino-N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(N(N)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c1-19-14-9-5-8-13(10-14)17(16)15(18)20-11-12-6-3-2-4-7-12/h2-10H,11,16H2,1H3
InChIKeyOPYPXKOHMDCAAQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.71
Rot. Bonds4

About benzyl N-amino-N-(3-methoxyphenyl)carbamate

benzyl N-amino-N-(3-methoxyphenyl)carbamate (PubChem CID 70405892) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is benzyl N-amino-N-(3-methoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-amino-N-(3-methoxyphenyl)carbamate
PubChem CID70405892
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namebenzyl N-amino-N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(N(N)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c1-19-14-9-5-8-13(10-14)17(16)15(18)20-11-12-6-3-2-4-7-12/h2-10H,11,16H2,1H3
InChIKeyOPYPXKOHMDCAAQ-UHFFFAOYSA-N
XLogP2.71
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-amino-N-(3-methoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
benzyl N-amino-N-[3-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]carbamate
CID 87198278
(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
CID 62879024
benzyl N,N-dimethylcarbamate
CID 12963450
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
CID 156800719
CID 156800719
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984
benzyl N-acetyl-N-aminocarbamate
CID 67604274

Frequently Asked Questions

What is the IUPAC name of benzyl N-amino-N-(3-methoxyphenyl)carbamate?
The IUPAC name of benzyl N-amino-N-(3-methoxyphenyl)carbamate (CID 70405892) is benzyl N-amino-N-(3-methoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-amino-N-(3-methoxyphenyl)carbamate?
The canonical SMILES for benzyl N-amino-N-(3-methoxyphenyl)carbamate is COc1cccc(N(N)C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-amino-N-(3-methoxyphenyl)carbamate?
The InChIKey is OPYPXKOHMDCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-14-9-5-8-13(10-14)17(16)15(18)20-11-12-6-3-2-4-7-12/h2-10H,11,16H2,1H3.
What are the key properties of benzyl N-amino-N-(3-methoxyphenyl)carbamate?
benzyl N-amino-N-(3-methoxyphenyl)carbamate has a molecular weight of 272.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-amino-N-(3-methoxyphenyl)carbamate is sourced from PubChem (CID 70405892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).