3,3-dicyclohexyl-N-(3-methylbutyl)propanamide

C20H37NO — CID 171725760

IUPAC3,3-dicyclohexyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37NO/c1-16(2)13-14-21-20(22)15-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h16-19H,3-15H2,1-2H3,(H,21,22)
InChIKeyXHSAZWUMQXREOR-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.32
Rot. Bonds7

About 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide

3,3-dicyclohexyl-N-(3-methylbutyl)propanamide (PubChem CID 171725760) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3,3-dicyclohexyl-N-(3-methylbutyl)propanamide
PubChem CID171725760
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name3,3-dicyclohexyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37NO/c1-16(2)13-14-21-20(22)15-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h16-19H,3-15H2,1-2H3,(H,21,22)
InChIKeyXHSAZWUMQXREOR-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
2-(cyclobutylamino)-N-(3-methylbutyl)acetamide
CID 62414172
3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119503732
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623
N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
CID 119408410
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
CID 111425656
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942380
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide (CID 171725760) is 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide?
The InChIKey is XHSAZWUMQXREOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-16(2)13-14-21-20(22)15-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h16-19H,3-15H2,1-2H3,(H,21,22).
What are the key properties of 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide?
3,3-dicyclohexyl-N-(3-methylbutyl)propanamide has a molecular weight of 307.52 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclohexyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 171725760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).