4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide

C19H29NO2 — CID 4687838

IUPAC4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2CCCCC2C)c(C)c1
InChIInChI=1S/C19H29NO2/c1-14-7-4-5-9-18(14)20-19(21)10-6-8-16-11-12-17(22-3)13-15(16)2/h11-14,18H,4-10H2,1-3H3,(H,20,21)
InChIKeyQTGGISXMHSCJFL-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.02
Rot. Bonds6

About 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide

4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide (PubChem CID 4687838) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide
PubChem CID4687838
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2CCCCC2C)c(C)c1
InChIInChI=1S/C19H29NO2/c1-14-7-4-5-9-18(14)20-19(21)10-6-8-16-11-12-17(22-3)13-15(16)2/h11-14,18H,4-10H2,1-3H3,(H,20,21)
InChIKeyQTGGISXMHSCJFL-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide (CID 4687838) is 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide is COc1ccc(CCCC(=O)NC2CCCCC2C)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide?
The InChIKey is QTGGISXMHSCJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14-7-4-5-9-18(14)20-19(21)10-6-8-16-11-12-17(22-3)13-15(16)2/h11-14,18H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide?
4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide has a molecular weight of 303.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 4687838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).