2-amino-N-[(2-ethylphenyl)methyl]hexanamide

C15H24N2O — CID 64682652

IUPAC2-amino-N-[(2-ethylphenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCc1ccccc1CC
InChIInChI=1S/C15H24N2O/c1-3-5-10-14(16)15(18)17-11-13-9-7-6-8-12(13)4-2/h6-9,14H,3-5,10-11,16H2,1-2H3,(H,17,18)
InChIKeyBNMACFQOIOPKGK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.38
Rot. Bonds7

About 2-amino-N-[(2-ethylphenyl)methyl]hexanamide

2-amino-N-[(2-ethylphenyl)methyl]hexanamide (PubChem CID 64682652) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-N-[(2-ethylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(2-ethylphenyl)methyl]hexanamide
PubChem CID64682652
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-N-[(2-ethylphenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCc1ccccc1CC
InChIInChI=1S/C15H24N2O/c1-3-5-10-14(16)15(18)17-11-13-9-7-6-8-12(13)4-2/h6-9,14H,3-5,10-11,16H2,1-2H3,(H,17,18)
InChIKeyBNMACFQOIOPKGK-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
CID 61212479
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
3-[[(2S)-2-aminohexanoyl]amino]-2-phenylpropanoic acid
CID 107145420
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
1-(2-aminohexanoylamino)-3-[(2-chlorophenyl)methyl]urea
CID 11426966
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-ethylphenyl)methyl]hexanamide?
The IUPAC name of 2-amino-N-[(2-ethylphenyl)methyl]hexanamide (CID 64682652) is 2-amino-N-[(2-ethylphenyl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(2-ethylphenyl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-[(2-ethylphenyl)methyl]hexanamide is CCCCC(N)C(=O)NCc1ccccc1CC.
What is the InChIKey of 2-amino-N-[(2-ethylphenyl)methyl]hexanamide?
The InChIKey is BNMACFQOIOPKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-10-14(16)15(18)17-11-13-9-7-6-8-12(13)4-2/h6-9,14H,3-5,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[(2-ethylphenyl)methyl]hexanamide?
2-amino-N-[(2-ethylphenyl)methyl]hexanamide has a molecular weight of 248.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethylphenyl)methyl]hexanamide is sourced from PubChem (CID 64682652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).