N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide

C15H24N2O — CID 80697183

IUPACN-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
SMILESCCCCC(CN)NC(=O)Cc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-3-4-9-14(11-16)17-15(18)10-13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyBNJIFHZCUGIBQQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide

N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide (PubChem CID 80697183) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
PubChem CID80697183
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
SMILESCCCCC(CN)NC(=O)Cc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-3-4-9-14(11-16)17-15(18)10-13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyBNJIFHZCUGIBQQ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119667896
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CID 119668833
N-(1-aminohexan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119666599
N-(1-aminopentan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 65191208
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 114307554
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 119667424
N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65191595
N-(1-aminohexan-2-yl)-3-phenylpentanamide;hydrochloride
CID 119668250
N-(1-aminohexan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119667900

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide (CID 80697183) is N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide is CCCCC(CN)NC(=O)Cc1ccccc1C.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is BNJIFHZCUGIBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-9-14(11-16)17-15(18)10-13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide?
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 80697183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).