N-(4-aminophenyl)-2-methoxy-N-propylacetamide

C12H18N2O2 — CID 63233545

IUPACN-(4-aminophenyl)-2-methoxy-N-propylacetamide
SMILESCCCN(C(=O)COC)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-3-8-14(12(15)9-16-2)11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3
InChIKeyKTCUJPIQBLWQEB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds5

About N-(4-aminophenyl)-2-methoxy-N-propylacetamide

N-(4-aminophenyl)-2-methoxy-N-propylacetamide (PubChem CID 63233545) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-methoxy-N-propylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-methoxy-N-propylacetamide
PubChem CID63233545
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-aminophenyl)-2-methoxy-N-propylacetamide
SMILESCCCN(C(=O)COC)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-3-8-14(12(15)9-16-2)11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3
InChIKeyKTCUJPIQBLWQEB-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 N-(4-aminophenyl)-2-methoxy-N-propylacetamide 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-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide
CID 63832151
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide
CID 103161636
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(4-aminophenyl)-N,2-dipropylpentanamide
CID 82983981
3-[4-(diethylamino)-N-(2-methoxyacetyl)anilino]propanoic acid
CID 95534693
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321758
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-methoxy-N-propylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-methoxy-N-propylacetamide (CID 63233545) is N-(4-aminophenyl)-2-methoxy-N-propylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-methoxy-N-propylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-methoxy-N-propylacetamide is CCCN(C(=O)COC)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-methoxy-N-propylacetamide?
The InChIKey is KTCUJPIQBLWQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-14(12(15)9-16-2)11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-methoxy-N-propylacetamide?
N-(4-aminophenyl)-2-methoxy-N-propylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-methoxy-N-propylacetamide is sourced from PubChem (CID 63233545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).