methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate

C15H27NO4 — CID 114450536

IUPACmethyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC(C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-10(2)9-16-14(17)11(3)20-13-7-5-12(6-8-13)15(18)19-4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyBKDVSAMATAWISD-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.90
Rot. Bonds6

About methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate

methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate (PubChem CID 114450536) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
PubChem CID114450536
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC(C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-10(2)9-16-14(17)11(3)20-13-7-5-12(6-8-13)15(18)19-4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyBKDVSAMATAWISD-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-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

2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide
CID 62805985
methyl 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
CID 114450539
methyl 4-(1-cyanoethoxy)cyclohexane-1-carboxylate
CID 114450506
methyl 4-(3-hydroxy-2-methylpropoxy)cyclohexane-1-carboxylate
CID 114450695
methyl 4-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylate
CID 114450672
methyl 4-(3-amino-2-methyl-3-oxopropoxy)cyclohexane-1-carboxylate
CID 114450817
N-(3-aminobutyl)-2-cycloheptyloxypropanamide
CID 119498510
methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate
CID 114450564
methyl 4-prop-2-enoxycyclohexane-1-carboxylate
CID 114450554
1-O-methyl 4-O-(7-methyloctyl) cyclohexane-1,4-dicarboxylate
CID 90953819
methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
1-O-tert-butyl 4-O-[1-(2-methylpropylamino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate
CID 55422887

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate (CID 114450536) is methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate is COC(=O)C1CCC(OC(C)C(=O)NCC(C)C)CC1.
What is the InChIKey of methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
The InChIKey is BKDVSAMATAWISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-10(2)9-16-14(17)11(3)20-13-7-5-12(6-8-13)15(18)19-4/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate?
methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 114450536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).