2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate

C14H22N2O2 — CID 55173815

IUPAC2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
SMILESCCCN(C(=O)OCC(C)C)c1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-4-9-16(14(17)18-10-11(2)3)13-8-6-5-7-12(13)15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyGWWXZGJMOJDSCY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.28
Rot. Bonds5

About 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate

2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate (PubChem CID 55173815) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
PubChem CID55173815
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
SMILESCCCN(C(=O)OCC(C)C)c1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-4-9-16(14(17)18-10-11(2)3)13-8-6-5-7-12(13)15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyGWWXZGJMOJDSCY-UHFFFAOYSA-N
XLogP3.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylpropyl N-(2-aminophenyl)-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

N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
CID 43318992
2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 106453609
2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
CID 63229674
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
propan-2-yl 2-(2-amino-N-propylanilino)acetate
CID 63230765
N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 107000282
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate?
The IUPAC name of 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate (CID 55173815) is 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate.
What is the SMILES notation for 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate?
The canonical SMILES for 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate is CCCN(C(=O)OCC(C)C)c1ccccc1N.
What is the InChIKey of 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate?
The InChIKey is GWWXZGJMOJDSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-16(14(17)18-10-11(2)3)13-8-6-5-7-12(13)15/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate?
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate is sourced from PubChem (CID 55173815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).