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

C17H30N2O3 — CID 109145407

IUPAC4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H30N2O3/c1-3-12(2)19-17(21)14-8-6-13(7-9-14)16(20)18-11-15-5-4-10-22-15/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKYVSUHHINJRNMV-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.00
Rot. Bonds6

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

4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145407) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145407
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H30N2O3/c1-3-12(2)19-17(21)14-8-6-13(7-9-14)16(20)18-11-15-5-4-10-22-15/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKYVSUHHINJRNMV-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145227
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
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
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
2-[[(butan-2-ylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492222
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109145407) is 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is CCC(C)NC(=O)C1CCC(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is KYVSUHHINJRNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-12(2)19-17(21)14-8-6-13(7-9-14)16(20)18-11-15-5-4-10-22-15/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).