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

C14H23NO4 — CID 115270417

IUPACmethyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(N(C)C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H23NO4/c1-15(13(16)12-4-3-9-19-12)11-7-5-10(6-8-11)14(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyKHPSRVNULADDML-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.36
Rot. Bonds3

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

methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 115270417) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID115270417
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(N(C)C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H23NO4/c1-15(13(16)12-4-3-9-19-12)11-7-5-10(6-8-11)14(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyKHPSRVNULADDML-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[methyl(oxolane-2-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

N-cyclobutyl-N-methyloxolane-2-carboxamide
CID 127002329
N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane
CID 171632983
N-methyl-N-piperidin-4-yloxolane-2-carboxamide;hydrochloride
CID 119260019
methyl 4-[methoxycarbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270421
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyloxolane-2-carboxamide
CID 79111397
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349
methyl 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
CID 54557644
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321
cis-methyl (1R,3S)-3-(dimethylamino)cyclopentane-1-carboxylate
CID 99996118
methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270420

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate (CID 115270417) is methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(N(C)C(=O)C2CCCO2)CC1.
What is the InChIKey of methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is KHPSRVNULADDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-15(13(16)12-4-3-9-19-12)11-7-5-10(6-8-11)14(17)18-2/h10-12H,3-9H2,1-2H3.
What are the key properties of methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(oxolane-2-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115270417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).