N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

C21H38N2O2 — CID 4640083

IUPACN-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NC2CCCC(C)C2C)C(C)C)CC1
InChIInChI=1S/C21H38N2O2/c1-13(2)19(23-20(24)17-11-9-14(3)10-12-17)21(25)22-18-8-6-7-15(4)16(18)5/h13-19H,6-12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyQKQYGRICRFJSOM-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.89
Rot. Bonds5

About N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 4640083) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID4640083
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC NameN-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NC2CCCC(C)C2C)C(C)C)CC1
InChIInChI=1S/C21H38N2O2/c1-13(2)19(23-20(24)17-11-9-14(3)10-12-17)21(25)22-18-8-6-7-15(4)16(18)5/h13-19H,6-12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyQKQYGRICRFJSOM-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 4640083) is N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)NC2CCCC(C)C2C)C(C)C)CC1.
What is the InChIKey of N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is QKQYGRICRFJSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-13(2)19(23-20(24)17-11-9-14(3)10-12-17)21(25)22-18-8-6-7-15(4)16(18)5/h13-19H,6-12H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 350.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 4640083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).