benzyl N-(4-amino-3-methoxyphenyl)carbamate

C15H16N2O3 — CID 154476991

IUPACbenzyl N-(4-amino-3-methoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCc2ccccc2)ccc1N
InChIInChI=1S/C15H16N2O3/c1-19-14-9-12(7-8-13(14)16)17-15(18)20-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyUYENBSONCWMXMW-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.03
Rot. Bonds4

About benzyl N-(4-amino-3-methoxyphenyl)carbamate

benzyl N-(4-amino-3-methoxyphenyl)carbamate (PubChem CID 154476991) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is benzyl N-(4-amino-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-amino-3-methoxyphenyl)carbamate
PubChem CID154476991
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namebenzyl N-(4-amino-3-methoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCc2ccccc2)ccc1N
InChIInChI=1S/C15H16N2O3/c1-19-14-9-12(7-8-13(14)16)17-15(18)20-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyUYENBSONCWMXMW-UHFFFAOYSA-N
XLogP3.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
CID 131862352
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
methyl 5-(phenylmethoxycarbonylamino)-2-phenylmethoxycarbonyloxybenzoate
CID 139741057
benzyl N-[1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 43007898
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
benzyl N-[4-(dimethoxymethyl)-3-fluorophenyl]carbamate
CID 22245060

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-amino-3-methoxyphenyl)carbamate?
The IUPAC name of benzyl N-(4-amino-3-methoxyphenyl)carbamate (CID 154476991) is benzyl N-(4-amino-3-methoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-amino-3-methoxyphenyl)carbamate?
The canonical SMILES for benzyl N-(4-amino-3-methoxyphenyl)carbamate is COc1cc(NC(=O)OCc2ccccc2)ccc1N.
What is the InChIKey of benzyl N-(4-amino-3-methoxyphenyl)carbamate?
The InChIKey is UYENBSONCWMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-14-9-12(7-8-13(14)16)17-15(18)20-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of benzyl N-(4-amino-3-methoxyphenyl)carbamate?
benzyl N-(4-amino-3-methoxyphenyl)carbamate has a molecular weight of 272.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-amino-3-methoxyphenyl)carbamate is sourced from PubChem (CID 154476991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).