(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate

C15H16N2O3 — CID 43469136

IUPAC(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-19-14-4-2-3-11(9-14)10-20-15(18)17-13-7-5-12(16)6-8-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyUEGZKKMPHXIDML-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.03
Rot. Bonds4

About (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate

(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate (PubChem CID 43469136) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
PubChem CID43469136
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-19-14-4-2-3-11(9-14)10-20-15(18)17-13-7-5-12(16)6-8-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyUEGZKKMPHXIDML-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
CID 118367349
N-(4-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24708109
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
CID 65126577
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
(Z)-N-(4-aminophenyl)-2-cyano-3-[(3-methoxyphenyl)methylamino]prop-2-enamide
CID 108818245
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate?
The IUPAC name of (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate (CID 43469136) is (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate.
What is the SMILES notation for (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate?
The canonical SMILES for (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate is COc1cccc(COC(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate?
The InChIKey is UEGZKKMPHXIDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-14-4-2-3-11(9-14)10-20-15(18)17-13-7-5-12(16)6-8-13/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate?
(3-methoxyphenyl)methyl N-(4-aminophenyl)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 (3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate is sourced from PubChem (CID 43469136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).