2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide

C17H34N2O — CID 106025932

IUPAC2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide
SMILESCCCCC(CCC)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-6-11-15(10-5-2)19-16(20)14-17(18-3)12-8-7-9-13-17/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyUMMYHUJKXJCMIL-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.77
Rot. Bonds9

About 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide

2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide (PubChem CID 106025932) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide
PubChem CID106025932
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide
SMILESCCCCC(CCC)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-6-11-15(10-5-2)19-16(20)14-17(18-3)12-8-7-9-13-17/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyUMMYHUJKXJCMIL-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(octan-4-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106019129
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106019145
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387
N-octan-4-ylpentanamide
CID 91803774
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62119087
3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
CID 119816540
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
CID 106230414

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide (CID 106025932) is 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide is CCCCC(CCC)NC(=O)CC1(NC)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide?
The InChIKey is UMMYHUJKXJCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-6-11-15(10-5-2)19-16(20)14-17(18-3)12-8-7-9-13-17/h15,18H,4-14H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide?
2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide has a molecular weight of 282.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide is sourced from PubChem (CID 106025932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).