5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide

C15H23ClN2O2 — CID 82011180

IUPAC5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCC(C)CN
InChIInChI=1S/C15H23ClN2O2/c1-3-8-20-14-6-5-12(16)9-13(14)18-15(19)7-4-11(2)10-17/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeySZISEJICILBHLY-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.44
Rot. Bonds8

About 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide

5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide (PubChem CID 82011180) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
PubChem CID82011180
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCC(C)CN
InChIInChI=1S/C15H23ClN2O2/c1-3-8-20-14-6-5-12(16)9-13(14)18-15(19)7-4-11(2)10-17/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeySZISEJICILBHLY-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide 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

4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119949937
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide (CID 82011180) is 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide is CCCOc1ccc(Cl)cc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide?
The InChIKey is SZISEJICILBHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-8-20-14-6-5-12(16)9-13(14)18-15(19)7-4-11(2)10-17/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide?
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide has a molecular weight of 298.81 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 82011180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).