methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate

C15H21NO4 — CID 51084600

IUPACmethyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccoc2C)CCC(C)CC1
InChIInChI=1S/C15H21NO4/c1-10-4-7-15(8-5-10,14(18)19-3)16-13(17)12-6-9-20-11(12)2/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyCTISQYGRVZNJMD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.44
Rot. Bonds3

About methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 51084600) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID51084600
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccoc2C)CCC(C)CC1
InChIInChI=1S/C15H21NO4/c1-10-4-7-15(8-5-10,14(18)19-3)16-13(17)12-6-9-20-11(12)2/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyCTISQYGRVZNJMD-UHFFFAOYSA-N
XLogP2.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 1-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55808955
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
methyl 1-[(3-bromobenzoyl)amino]-4-methylcyclohexane-1-carboxylate
CID 55808918
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate
CID 94866081
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
methyl 4-methyl-1-[[2-(2,4,5-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 11012978
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
N-(1-cyanocyclopentyl)-2-methylfuran-3-carboxamide
CID 60704628
methyl 1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55979639
methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 55808952
methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate
CID 119733667

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 51084600) is methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2ccoc2C)CCC(C)CC1.
What is the InChIKey of methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is CTISQYGRVZNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-4-7-15(8-5-10,14(18)19-3)16-13(17)12-6-9-20-11(12)2/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 51084600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).