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

C14H21ClN2O — CID 82851613

IUPAC5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
SMILESCC(N)CCCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-11(16)5-3-8-14(18)17(2)10-12-6-4-7-13(15)9-12/h4,6-7,9,11H,3,5,8,10,16H2,1-2H3
InChIKeyVAHUYALNTXMCKJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds6

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

5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide (PubChem CID 82851613) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
PubChem CID82851613
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
SMILESCC(N)CCCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-11(16)5-3-8-14(18)17(2)10-12-6-4-7-13(15)9-12/h4,6-7,9,11H,3,5,8,10,16H2,1-2H3
InChIKeyVAHUYALNTXMCKJ-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
2-(3-aminobutylsulfanyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 66232590
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
N-[(3-chlorophenyl)methyl]-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 66136572
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869
2-amino-3-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385516
tert-butyl N-[4-[(3-chlorophenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 51217490

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide?
The IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide (CID 82851613) is 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide is CC(N)CCCC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide?
The InChIKey is VAHUYALNTXMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(16)5-3-8-14(18)17(2)10-12-6-4-7-13(15)9-12/h4,6-7,9,11H,3,5,8,10,16H2,1-2H3.
What are the key properties of 5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide?
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide has a molecular weight of 268.79 g/mol, XLogP of 2.82, 6 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-methylhexanamide is sourced from PubChem (CID 82851613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).