N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide

C16H27N3O — CID 119668833

IUPACN-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
SMILESCCCCC(CN)NC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C16H27N3O/c1-4-5-9-14(10-17)19-15(20)11-18-16-12(2)7-6-8-13(16)3/h6-8,14,18H,4-5,9-11,17H2,1-3H3,(H,19,20)
InChIKeyXETMUQKANZQNRR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.35
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide

N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide (PubChem CID 119668833) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
PubChem CID119668833
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
SMILESCCCCC(CN)NC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C16H27N3O/c1-4-5-9-14(10-17)19-15(20)11-18-16-12(2)7-6-8-13(16)3/h6-8,14,18H,4-5,9-11,17H2,1-3H3,(H,19,20)
InChIKeyXETMUQKANZQNRR-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
N-(1-aminohexan-2-yl)-3-phenylpentanamide;hydrochloride
CID 119668250
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119667896
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
CID 80697811

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide (CID 119668833) is N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide is CCCCC(CN)NC(=O)CNc1c(C)cccc1C.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide?
The InChIKey is XETMUQKANZQNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-5-9-14(10-17)19-15(20)11-18-16-12(2)7-6-8-13(16)3/h6-8,14,18H,4-5,9-11,17H2,1-3H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide?
N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 119668833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).