4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide

C20H30N2O5 — CID 109146700

IUPAC4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C20H30N2O5/c1-25-12-4-11-21-19(23)14-5-7-15(8-6-14)20(24)22-16-9-10-17(26-2)18(13-16)27-3/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVJPUECLFRORDPV-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.60
Rot. Bonds9

About 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide

4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146700) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146700
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C20H30N2O5/c1-25-12-4-11-21-19(23)14-5-7-15(8-6-14)20(24)22-16-9-10-17(26-2)18(13-16)27-3/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVJPUECLFRORDPV-UHFFFAOYSA-N
XLogP2.60
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
1-(3,4-dimethoxyphenyl)-3-(3-methoxypropyl)thiourea
CID 2725123
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide (CID 109146700) is 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide is COCCCNC(=O)C1CCC(C(=O)Nc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is VJPUECLFRORDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-25-12-4-11-21-19(23)14-5-7-15(8-6-14)20(24)22-16-9-10-17(26-2)18(13-16)27-3/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).