1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide

C18H30N2O4 — CID 59440307

IUPAC1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)C(=O)CNC(=O)C1CCC(C(=O)NCC(=O)C(C)C)CC1
InChIInChI=1S/C18H30N2O4/c1-11(2)15(21)9-19-17(23)13-5-7-14(8-6-13)18(24)20-10-16(22)12(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyKCDHRNQHJVFKKH-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.48
Rot. Bonds8

About 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide (PubChem CID 59440307) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
PubChem CID59440307
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)C(=O)CNC(=O)C1CCC(C(=O)NCC(=O)C(C)C)CC1
InChIInChI=1S/C18H30N2O4/c1-11(2)15(21)9-19-17(23)13-5-7-14(8-6-13)18(24)20-10-16(22)12(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyKCDHRNQHJVFKKH-UHFFFAOYSA-N
XLogP1.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-oxobutyl)cyclobutanecarboxamide
CID 64996921
N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide
CID 153456408
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
CID 81095770
2-(cyclopropanecarbonylamino)acetate
CID 6997226
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94191433
(3-methyl-2-oxobutyl)urea
CID 20600814
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide (CID 59440307) is 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide is CC(C)C(=O)CNC(=O)C1CCC(C(=O)NCC(=O)C(C)C)CC1.
What is the InChIKey of 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is KCDHRNQHJVFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-11(2)15(21)9-19-17(23)13-5-7-14(8-6-13)18(24)20-10-16(22)12(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 59440307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).