(4-aminophenyl)methyl N-propylcarbamate

C11H16N2O2 — CID 142910481

IUPAC(4-aminophenyl)methyl N-propylcarbamate
SMILESCCCNC(=O)OCc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-7-13-11(14)15-8-9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyNFNURGMHPPNPKS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.90
Rot. Bonds4

About (4-aminophenyl)methyl N-propylcarbamate

(4-aminophenyl)methyl N-propylcarbamate (PubChem CID 142910481) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-aminophenyl)methyl N-propylcarbamate.

Molecular Properties

Compound Name(4-aminophenyl)methyl N-propylcarbamate
PubChem CID142910481
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(4-aminophenyl)methyl N-propylcarbamate
SMILESCCCNC(=O)OCc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-7-13-11(14)15-8-9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyNFNURGMHPPNPKS-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)methyl N-propylcarbamate 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-(3-deuteriopropyl)carbamate
CID 173247351
[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
CID 58962186
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methyl N-propylcarbamate?
The IUPAC name of (4-aminophenyl)methyl N-propylcarbamate (CID 142910481) is (4-aminophenyl)methyl N-propylcarbamate.
What is the SMILES notation for (4-aminophenyl)methyl N-propylcarbamate?
The canonical SMILES for (4-aminophenyl)methyl N-propylcarbamate is CCCNC(=O)OCc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)methyl N-propylcarbamate?
The InChIKey is NFNURGMHPPNPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-7-13-11(14)15-8-9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of (4-aminophenyl)methyl N-propylcarbamate?
(4-aminophenyl)methyl N-propylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methyl N-propylcarbamate is sourced from PubChem (CID 142910481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).