N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide

C21H26ClNO2 — CID 43916344

IUPACN-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-15(2)19-8-4-5-9-20(19)25-16(3)21(24)23-14-6-7-17-10-12-18(22)13-11-17/h4-5,8-13,15-16H,6-7,14H2,1-3H3,(H,23,24)
InChIKeyIONWUFYPZNINJO-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.98
Rot. Bonds8

About N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide

N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 43916344) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID43916344
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-15(2)19-8-4-5-9-20(19)25-16(3)21(24)23-14-6-7-17-10-12-18(22)13-11-17/h4-5,8-13,15-16H,6-7,14H2,1-3H3,(H,23,24)
InChIKeyIONWUFYPZNINJO-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide 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

(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 99952145
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 133202318
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
3-chloro-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539503
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 43916344) is N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide is CC(Oc1ccccc1C(C)C)C(=O)NCCCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is IONWUFYPZNINJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-15(2)19-8-4-5-9-20(19)25-16(3)21(24)23-14-6-7-17-10-12-18(22)13-11-17/h4-5,8-13,15-16H,6-7,14H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 359.90 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43916344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).