1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

C20H28N2O3 — CID 109149468

IUPAC1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C20H28N2O3/c1-4-22(5-2)20(25)17-8-6-16(7-9-17)19(24)21-18-12-10-15(11-13-18)14(3)23/h10-13,16-17H,4-9H2,1-3H3,(H,21,24)
InChIKeyAMIVTCOBIQTNKL-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.50
Rot. Bonds6

About 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (PubChem CID 109149468) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
PubChem CID109149468
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C20H28N2O3/c1-4-22(5-2)20(25)17-8-6-16(7-9-17)19(24)21-18-12-10-15(11-13-18)14(3)23/h10-13,16-17H,4-9H2,1-3H3,(H,21,24)
InChIKeyAMIVTCOBIQTNKL-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
1-N-(4-tert-butylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149437
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149490
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149500
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149494
3-(4-acetylphenyl)-1,1-diethylthiourea
CID 19652941

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (CID 109149468) is 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is CCN(CC)C(=O)C1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The InChIKey is AMIVTCOBIQTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-4-22(5-2)20(25)17-8-6-16(7-9-17)19(24)21-18-12-10-15(11-13-18)14(3)23/h10-13,16-17H,4-9H2,1-3H3,(H,21,24).
What are the key properties of 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).