1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

C21H33N3O2 — CID 109147165

IUPAC1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCC(C(=O)NCCN(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C21H33N3O2/c1-5-24(19-8-6-7-16(2)15-19)21(26)18-11-9-17(10-12-18)20(25)22-13-14-23(3)4/h6-8,15,17-18H,5,9-14H2,1-4H3,(H,22,25)
InChIKeyLVPDHCQNKSDCKC-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.83
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147165) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147165
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCC(C(=O)NCCN(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C21H33N3O2/c1-5-24(19-8-6-7-16(2)15-19)21(26)18-11-9-17(10-12-18)20(25)22-13-14-23(3)4/h6-8,15,17-18H,5,9-14H2,1-4H3,(H,22,25)
InChIKeyLVPDHCQNKSDCKC-UHFFFAOYSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149897
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
4-N-ethyl-1-N-[(4-fluorophenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148470
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151176
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
N-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109147165) is 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is CCN(C(=O)C1CCC(C(=O)NCCN(C)C)CC1)c1cccc(C)c1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is LVPDHCQNKSDCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-24(19-8-6-7-16(2)15-19)21(26)18-11-9-17(10-12-18)20(25)22-13-14-23(3)4/h6-8,15,17-18H,5,9-14H2,1-4H3,(H,22,25).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).