2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide

C18H34N2O2 — CID 4122522

IUPAC2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide
SMILESCC(C)C(=O)NCC1(C)CC(NC(=O)C(C)C)CC(C)(C)C1
InChIInChI=1S/C18H34N2O2/c1-12(2)15(21)19-11-18(7)9-14(8-17(5,6)10-18)20-16(22)13(3)4/h12-14H,8-11H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyKBGCLDCTBPLQGJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.12
Rot. Bonds5

About 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide

2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide (PubChem CID 4122522) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide
PubChem CID4122522
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide
SMILESCC(C)C(=O)NCC1(C)CC(NC(=O)C(C)C)CC(C)(C)C1
InChIInChI=1S/C18H34N2O2/c1-12(2)15(21)19-11-18(7)9-14(8-17(5,6)10-18)20-16(22)13(3)4/h12-14H,8-11H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyKBGCLDCTBPLQGJ-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide (CID 4122522) is 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide is CC(C)C(=O)NCC1(C)CC(NC(=O)C(C)C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide?
The InChIKey is KBGCLDCTBPLQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12(2)15(21)19-11-18(7)9-14(8-17(5,6)10-18)20-16(22)13(3)4/h12-14H,8-11H2,1-7H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide?
2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide has a molecular weight of 310.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 4122522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).