1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

C21H26N2O3 — CID 109045330

IUPAC1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)18-7-4-5-8-19(18)23-21(25)17-11-9-16(10-12-17)20(24)22-13-6-14-26-3/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXIGWDBZALTXBBF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.83
Rot. Bonds8

About 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109045330) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109045330
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)18-7-4-5-8-19(18)23-21(25)17-11-9-16(10-12-17)20(24)22-13-6-14-26-3/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXIGWDBZALTXBBF-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.83
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

1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
2-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133177
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17148342
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17093762
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (CID 109045330) is 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is COCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is XIGWDBZALTXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)18-7-4-5-8-19(18)23-21(25)17-11-9-16(10-12-17)20(24)22-13-6-14-26-3/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).