6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide

C15H23ClN2O — CID 43700876

IUPAC6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CCCCCN
InChIInChI=1S/C15H23ClN2O/c1-12(11-13-6-8-14(16)9-7-13)18-15(19)5-3-2-4-10-17/h6-9,12H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyLAVLOXIYVRDKSD-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.91
Rot. Bonds8

About 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide

6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide (PubChem CID 43700876) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
PubChem CID43700876
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CCCCCN
InChIInChI=1S/C15H23ClN2O/c1-12(11-13-6-8-14(16)9-7-13)18-15(19)5-3-2-4-10-17/h6-9,12H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyLAVLOXIYVRDKSD-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
CID 119814208
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide (CID 43700876) is 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide is CC(Cc1ccc(Cl)cc1)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide?
The InChIKey is LAVLOXIYVRDKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(11-13-6-8-14(16)9-7-13)18-15(19)5-3-2-4-10-17/h6-9,12H,2-5,10-11,17H2,1H3,(H,18,19).
What are the key properties of 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide?
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide has a molecular weight of 282.81 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide is sourced from PubChem (CID 43700876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).