1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

C22H24N2O4 — CID 109150450

IUPAC1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-14-3-2-4-17(11-14)23-21(25)15-5-7-16(8-6-15)22(26)24-18-9-10-19-20(12-18)28-13-27-19/h2-4,9-12,15-16H,5-8,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyJVJTXRLHRDDQEN-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.11
Rot. Bonds4

About 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150450) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150450
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-14-3-2-4-17(11-14)23-21(25)15-5-7-16(8-6-15)22(26)24-18-9-10-19-20(12-18)28-13-27-19/h2-4,9-12,15-16H,5-8,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyJVJTXRLHRDDQEN-UHFFFAOYSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
N-(1,3-benzodioxol-5-yl)-1,1-dioxothiane-4-carboxamide
CID 110863226
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151021
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
N-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313483
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119668947
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150450) is 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1.
What is the InChIKey of 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is JVJTXRLHRDDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-3-2-4-17(11-14)23-21(25)15-5-7-16(8-6-15)22(26)24-18-9-10-19-20(12-18)28-13-27-19/h2-4,9-12,15-16H,5-8,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).