6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide

C14H21ClN2O — CID 81355233

IUPAC6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
SMILESC[C@H](NC(=O)CCCCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-11(12-6-8-13(15)9-7-12)17-14(18)5-3-2-4-10-16/h6-9,11H,2-5,10,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyGCJVULUNQVHOAD-NSHDSACASA-N
MW268.79 g/mol
LogP3.04
Rot. Bonds7

About 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide

6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide (PubChem CID 81355233) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
PubChem CID81355233
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
SMILESC[C@H](NC(=O)CCCCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-11(12-6-8-13(15)9-7-12)17-14(18)5-3-2-4-10-16/h6-9,11H,2-5,10,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyGCJVULUNQVHOAD-NSHDSACASA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide 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

6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide (CID 81355233) is 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide is C[C@H](NC(=O)CCCCCN)c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide?
The InChIKey is GCJVULUNQVHOAD-NSHDSACASA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(12-6-8-13(15)9-7-12)17-14(18)5-3-2-4-10-16/h6-9,11H,2-5,10,16H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide?
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide has a molecular weight of 268.79 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide is sourced from PubChem (CID 81355233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).