2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide

C16H32N2O — CID 63995484

IUPAC2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCC(C)CC1C
InChIInChI=1S/C16H32N2O/c1-11(2)8-9-17-16(19)14(5)18-15-7-6-12(3)10-13(15)4/h11-15,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyLJXWOHRIQNAWLM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.95
Rot. Bonds6

About 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide

2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 63995484) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID63995484
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCC(C)CC1C
InChIInChI=1S/C16H32N2O/c1-11(2)8-9-17-16(19)14(5)18-15-7-6-12(3)10-13(15)4/h11-15,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyLJXWOHRIQNAWLM-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide (CID 63995484) is 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)NC1CCC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is LJXWOHRIQNAWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11(2)8-9-17-16(19)14(5)18-15-7-6-12(3)10-13(15)4/h11-15,18H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide?
2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 268.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 63995484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).