5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide

C15H23ClN2O — CID 82852385

IUPAC5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CCCC(C)N
InChIInChI=1S/C15H23ClN2O/c1-3-18(15(19)9-4-6-12(2)17)11-13-7-5-8-14(16)10-13/h5,7-8,10,12H,3-4,6,9,11,17H2,1-2H3
InChIKeyHXTZJARQPSEQNT-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.21
Rot. Bonds7

About 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide

5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide (PubChem CID 82852385) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide.

Molecular Properties

Compound Name5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
PubChem CID82852385
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CCCC(C)N
InChIInChI=1S/C15H23ClN2O/c1-3-18(15(19)9-4-6-12(2)17)11-13-7-5-8-14(16)10-13/h5,7-8,10,12H,3-4,6,9,11,17H2,1-2H3
InChIKeyHXTZJARQPSEQNT-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide?
The IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide (CID 82852385) is 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide.
What is the SMILES notation for 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide?
The canonical SMILES for 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide is CCN(Cc1cccc(Cl)c1)C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide?
The InChIKey is HXTZJARQPSEQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-18(15(19)9-4-6-12(2)17)11-13-7-5-8-14(16)10-13/h5,7-8,10,12H,3-4,6,9,11,17H2,1-2H3.
What are the key properties of 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide?
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide has a molecular weight of 282.81 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide is sourced from PubChem (CID 82852385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).