1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109145572

IUPAC1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C21H32N2O2/c1-5-16(4)22-20(24)17-10-12-18(13-11-17)21(25)23(6-2)19-9-7-8-15(3)14-19/h7-9,14,16-18H,5-6,10-13H2,1-4H3,(H,22,24)
InChIKeyCIDJKGKEGGPPGX-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.07
Rot. Bonds6

About 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145572) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145572
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C21H32N2O2/c1-5-16(4)22-20(24)17-10-12-18(13-11-17)21(25)23(6-2)19-9-7-8-15(3)14-19/h7-9,14,16-18H,5-6,10-13H2,1-4H3,(H,22,24)
InChIKeyCIDJKGKEGGPPGX-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149897
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151176
4-N-ethyl-1-N-[(4-fluorophenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148470
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
N-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109145572) is 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is CCC(C)NC(=O)C1CCC(C(=O)N(CC)c2cccc(C)c2)CC1.
What is the InChIKey of 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is CIDJKGKEGGPPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-5-16(4)22-20(24)17-10-12-18(13-11-17)21(25)23(6-2)19-9-7-8-15(3)14-19/h7-9,14,16-18H,5-6,10-13H2,1-4H3,(H,22,24).
What are the key properties of 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).