5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide

C14H21ClN2O2 — CID 104683435

IUPAC5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)CCCN
InChIInChI=1S/C14H21ClN2O2/c1-9(5-4-6-16)14(18)17-12-7-10(2)11(15)8-13(12)19-3/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyHEDRKPIVDYDHNS-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.97
Rot. Bonds6

About 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide

5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide (PubChem CID 104683435) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
PubChem CID104683435
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)CCCN
InChIInChI=1S/C14H21ClN2O2/c1-9(5-4-6-16)14(18)17-12-7-10(2)11(15)8-13(12)19-3/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyHEDRKPIVDYDHNS-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-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

3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 103928289
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871952
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085869

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide (CID 104683435) is 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide?
The InChIKey is HEDRKPIVDYDHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(5-4-6-16)14(18)17-12-7-10(2)11(15)8-13(12)19-3/h7-9H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide?
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide has a molecular weight of 284.79 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 104683435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).