3-(2-phenoxyanilino)-N-propylpropanamide

C18H22N2O2 — CID 109011455

IUPAC3-(2-phenoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-13-20-18(21)12-14-19-16-10-6-7-11-17(16)22-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3,(H,20,21)
InChIKeyPOURGQQCVLYWBA-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.81
Rot. Bonds8

About 3-(2-phenoxyanilino)-N-propylpropanamide

3-(2-phenoxyanilino)-N-propylpropanamide (PubChem CID 109011455) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(2-phenoxyanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-phenoxyanilino)-N-propylpropanamide
PubChem CID109011455
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(2-phenoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-13-20-18(21)12-14-19-16-10-6-7-11-17(16)22-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3,(H,20,21)
InChIKeyPOURGQQCVLYWBA-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-phenoxyanilino)-N-propylpropanamide 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-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
CID 109023002
N-(2-phenoxyphenyl)decanamide
CID 4091110
N-pentyl-3-(2-propan-2-yloxyanilino)propanamide
CID 109032164
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyanilino)-N-propylpropanamide?
The IUPAC name of 3-(2-phenoxyanilino)-N-propylpropanamide (CID 109011455) is 3-(2-phenoxyanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(2-phenoxyanilino)-N-propylpropanamide?
The canonical SMILES for 3-(2-phenoxyanilino)-N-propylpropanamide is CCCNC(=O)CCNc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-(2-phenoxyanilino)-N-propylpropanamide?
The InChIKey is POURGQQCVLYWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-13-20-18(21)12-14-19-16-10-6-7-11-17(16)22-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3,(H,20,21).
What are the key properties of 3-(2-phenoxyanilino)-N-propylpropanamide?
3-(2-phenoxyanilino)-N-propylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyanilino)-N-propylpropanamide is sourced from PubChem (CID 109011455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).