N-[3,3-di(butan-2-yl)cyclohexyl]propanamide

C17H33NO — CID 23292810

IUPACN-[3,3-di(butan-2-yl)cyclohexyl]propanamide
SMILESCCC(=O)NC1CCCC(C(C)CC)(C(C)CC)C1
InChIInChI=1S/C17H33NO/c1-6-13(4)17(14(5)7-2)11-9-10-15(12-17)18-16(19)8-3/h13-15H,6-12H2,1-5H3,(H,18,19)
InChIKeyZQZGEVGQPNMTBI-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.53
Rot. Bonds6

About N-[3,3-di(butan-2-yl)cyclohexyl]propanamide

N-[3,3-di(butan-2-yl)cyclohexyl]propanamide (PubChem CID 23292810) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[3,3-di(butan-2-yl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[3,3-di(butan-2-yl)cyclohexyl]propanamide
PubChem CID23292810
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[3,3-di(butan-2-yl)cyclohexyl]propanamide
SMILESCCC(=O)NC1CCCC(C(C)CC)(C(C)CC)C1
InChIInChI=1S/C17H33NO/c1-6-13(4)17(14(5)7-2)11-9-10-15(12-17)18-16(19)8-3/h13-15H,6-12H2,1-5H3,(H,18,19)
InChIKeyZQZGEVGQPNMTBI-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide
CID 23292742
3,3-di(butan-2-yl)-N-propan-2-ylcyclohexan-1-amine;bis(propan-2-olate);propan-2-ylazanide;titanium(3+)
CID 173290072
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide
CID 114546344
N-(3,3-dimethylcyclopentyl)-2-(propan-2-ylamino)acetamide
CID 114546396
N'-butan-2-yl-N-cycloheptylpropanediamide
CID 108941808
N-(3,4-dihydroxycyclopentyl)propanamide
CID 170769048
N-cyclopentyl-2-(3-ethylpentan-2-ylamino)acetamide
CID 55260185

Frequently Asked Questions

What is the IUPAC name of N-[3,3-di(butan-2-yl)cyclohexyl]propanamide?
The IUPAC name of N-[3,3-di(butan-2-yl)cyclohexyl]propanamide (CID 23292810) is N-[3,3-di(butan-2-yl)cyclohexyl]propanamide.
What is the SMILES notation for N-[3,3-di(butan-2-yl)cyclohexyl]propanamide?
The canonical SMILES for N-[3,3-di(butan-2-yl)cyclohexyl]propanamide is CCC(=O)NC1CCCC(C(C)CC)(C(C)CC)C1.
What is the InChIKey of N-[3,3-di(butan-2-yl)cyclohexyl]propanamide?
The InChIKey is ZQZGEVGQPNMTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-13(4)17(14(5)7-2)11-9-10-15(12-17)18-16(19)8-3/h13-15H,6-12H2,1-5H3,(H,18,19).
What are the key properties of N-[3,3-di(butan-2-yl)cyclohexyl]propanamide?
N-[3,3-di(butan-2-yl)cyclohexyl]propanamide has a molecular weight of 267.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-di(butan-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 23292810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).