2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide

C16H26N2O — CID 54862005

IUPAC2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-6-7-15(17)16(19)18-13(4)14-9-8-11(2)10-12(14)3/h8-10,13,15H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyNNVCQNSUGKSJBA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.00
Rot. Bonds6

About 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide

2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide (PubChem CID 54862005) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
PubChem CID54862005
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-6-7-15(17)16(19)18-13(4)14-9-8-11(2)10-12(14)3/h8-10,13,15H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyNNVCQNSUGKSJBA-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
CID 54862017
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951
1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675256
(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 61180108
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide (CID 54862005) is 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide is CCCCC(N)C(=O)NC(C)c1ccc(C)cc1C.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide?
The InChIKey is NNVCQNSUGKSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-6-7-15(17)16(19)18-13(4)14-9-8-11(2)10-12(14)3/h8-10,13,15H,5-7,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide?
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide has a molecular weight of 262.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide is sourced from PubChem (CID 54862005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).