4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

C17H30N2O3 — CID 109145227

IUPAC4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H30N2O3/c1-12(2)10-18-16(20)13-5-7-14(8-6-13)17(21)19-11-15-4-3-9-22-15/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBISSKOSKYHYQCR-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.86
Rot. Bonds6

About 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145227) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145227
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H30N2O3/c1-12(2)10-18-16(20)13-5-7-14(8-6-13)17(21)19-11-15-4-3-9-22-15/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBISSKOSKYHYQCR-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145407
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
CID 110849495
1-(2-methylpropyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182038
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-[2-[[N'-methyl-N-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111138286
(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 39729388
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109145227) is 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is CC(C)CNC(=O)C1CCC(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BISSKOSKYHYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12(2)10-18-16(20)13-5-7-14(8-6-13)17(21)19-11-15-4-3-9-22-15/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).