1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

C21H26N2O2 — CID 109054298

IUPAC1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)10-11-22-20(24)18-8-5-9-19(13-18)21(25)23-14-17-7-4-6-16(3)12-17/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOLAGKFNVBFIWOO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.70
Rot. Bonds7

About 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054298) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054298
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)10-11-22-20(24)18-8-5-9-19(13-18)21(25)23-14-17-7-4-6-16(3)12-17/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOLAGKFNVBFIWOO-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
3-methyl-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110979411
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
4-chloro-3-[(3-methylbenzoyl)amino]-N-(3-methylbutyl)benzamide
CID 1020096
6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327701
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109054298) is 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is Cc1cccc(CNC(=O)c2cccc(C(=O)NCCC(C)C)c2)c1.
What is the InChIKey of 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is OLAGKFNVBFIWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)10-11-22-20(24)18-8-5-9-19(13-18)21(25)23-14-17-7-4-6-16(3)12-17/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).