N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide

C21H39NO — CID 21025637

IUPACN-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
SMILESCC(C)C1CCC(N(C(=O)CC(C)(C)C)C2CCCCC2)CC1
InChIInChI=1S/C21H39NO/c1-16(2)17-11-13-19(14-12-17)22(18-9-7-6-8-10-18)20(23)15-21(3,4)5/h16-19H,6-15H2,1-5H3
InChIKeyNQWKYSLMHSRIEQ-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.80
Rot. Bonds4

About N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide

N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide (PubChem CID 21025637) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
PubChem CID21025637
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC NameN-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
SMILESCC(C)C1CCC(N(C(=O)CC(C)(C)C)C2CCCCC2)CC1
InChIInChI=1S/C21H39NO/c1-16(2)17-11-13-19(14-12-17)22(18-9-7-6-8-10-18)20(23)15-21(3,4)5/h16-19H,6-15H2,1-5H3
InChIKeyNQWKYSLMHSRIEQ-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The IUPAC name of N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide (CID 21025637) is N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide.
What is the SMILES notation for N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The canonical SMILES for N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide is CC(C)C1CCC(N(C(=O)CC(C)(C)C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The InChIKey is NQWKYSLMHSRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-16(2)17-11-13-19(14-12-17)22(18-9-7-6-8-10-18)20(23)15-21(3,4)5/h16-19H,6-15H2,1-5H3.
What are the key properties of N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide has a molecular weight of 321.55 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide is sourced from PubChem (CID 21025637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).