2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide

C13H26N2O — CID 115706807

IUPAC2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
SMILESCNC(=O)CNC(C)CCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-11(15-10-13(16)14-2)8-9-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyBNDWAQMJOIMXBG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds6

About 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide

2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide (PubChem CID 115706807) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
PubChem CID115706807
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
SMILESCNC(=O)CNC(C)CCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-11(15-10-13(16)14-2)8-9-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyBNDWAQMJOIMXBG-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
2-(2-cyclopentylethylamino)-N-methylacetamide
CID 60919375
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid
CID 122127314
2-(2-cyclopentylethylamino)-N-methylpropanamide
CID 60919372
4-[(4-cyclohexylbutan-2-ylamino)methyl]benzoic acid
CID 122031433
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid
CID 20558858

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide?
The IUPAC name of 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide (CID 115706807) is 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide.
What is the SMILES notation for 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide?
The canonical SMILES for 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide is CNC(=O)CNC(C)CCC1CCCCC1.
What is the InChIKey of 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide?
The InChIKey is BNDWAQMJOIMXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(15-10-13(16)14-2)8-9-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide?
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide is sourced from PubChem (CID 115706807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).