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

C20H30N2O2 — CID 109145490

IUPAC4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CCC(C(=O)NC(C)CC)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-4-14(3)21-19(23)16-8-10-17(11-9-16)20(24)22-18-12-6-15(5-2)7-13-18/h6-7,12-14,16-17H,4-5,8-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFELMSHBXGFRPIQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.91
Rot. Bonds6

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

4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145490) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145490
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CCC(C(=O)NC(C)CC)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-4-14(3)21-19(23)16-8-10-17(11-9-16)20(24)22-18-12-6-15(5-2)7-13-18/h6-7,12-14,16-17H,4-5,8-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFELMSHBXGFRPIQ-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
CID 82262388
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
1-butan-2-yl-3-(4-ethylphenyl)thiourea
CID 19652039
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide (CID 109145490) is 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide is CCc1ccc(NC(=O)C2CCC(C(=O)NC(C)CC)CC2)cc1.
What is the InChIKey of 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is FELMSHBXGFRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-14(3)21-19(23)16-8-10-17(11-9-16)20(24)22-18-12-6-15(5-2)7-13-18/h6-7,12-14,16-17H,4-5,8-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).