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

C20H31N3O2 — CID 109147286

IUPAC1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCCCN(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-15-5-11-18(12-6-15)22-20(25)17-9-7-16(8-10-17)19(24)21-13-4-14-23(2)3/h5-6,11-12,16-17H,4,7-10,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCXSYPWGCEWPZEG-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.81
Rot. Bonds7

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

1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147286) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147286
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCCCN(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-15-5-11-18(12-6-15)22-20(25)17-9-7-16(8-10-17)19(24)21-13-4-14-23(2)3/h5-6,11-12,16-17H,4,7-10,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCXSYPWGCEWPZEG-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147341
4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
1-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109147324
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 42757301

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109147286) is 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)NCCCN(C)C)CC2)cc1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is CXSYPWGCEWPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-5-11-18(12-6-15)22-20(25)17-9-7-16(8-10-17)19(24)21-13-4-14-23(2)3/h5-6,11-12,16-17H,4,7-10,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).