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

C15H23ClN2O — CID 54870705

IUPAC6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCCCN
InChIInChI=1S/C15H23ClN2O/c1-12(13-7-9-14(16)10-8-13)18(2)15(19)6-4-3-5-11-17/h7-10,12H,3-6,11,17H2,1-2H3
InChIKeyIWGYRKKMDLJYGC-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.38
Rot. Bonds7

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

6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide (PubChem CID 54870705) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
PubChem CID54870705
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCCCN
InChIInChI=1S/C15H23ClN2O/c1-12(13-7-9-14(16)10-8-13)18(2)15(19)6-4-3-5-11-17/h7-10,12H,3-6,11,17H2,1-2H3
InChIKeyIWGYRKKMDLJYGC-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 47025634
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46431231
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545
N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide;hydrochloride
CID 120563544
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
The IUPAC name of 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide (CID 54870705) is 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
The canonical SMILES for 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
The InChIKey is IWGYRKKMDLJYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(13-7-9-14(16)10-8-13)18(2)15(19)6-4-3-5-11-17/h7-10,12H,3-6,11,17H2,1-2H3.
What are the key properties of 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide has a molecular weight of 282.81 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide is sourced from PubChem (CID 54870705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).