4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide

C20H36N2O2 — CID 6621257

IUPAC4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1
InChIInChI=1S/C20H36N2O2/c1-13(2)18(20(24)21-17-11-7-15(4)8-12-17)22-19(23)16-9-5-14(3)6-10-16/h13-18H,5-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyCWZBBAXUOCQAPM-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.65
Rot. Bonds5

About 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 6621257) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide
PubChem CID6621257
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1
InChIInChI=1S/C20H36N2O2/c1-13(2)18(20(24)21-17-11-7-15(4)8-12-17)22-19(23)16-9-5-14(3)6-10-16/h13-18H,5-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyCWZBBAXUOCQAPM-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide (CID 6621257) is 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide is CC1CCC(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is CWZBBAXUOCQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-13(2)18(20(24)21-17-11-7-15(4)8-12-17)22-19(23)16-9-5-14(3)6-10-16/h13-18H,5-12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 6621257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).