N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide

C25H26N2O3 — CID 4948024

IUPACN-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C25H26N2O3/c1-4-15-30-23-12-8-6-10-21(23)25(29)27-22-11-7-5-9-20(22)24(28)26-19-14-13-17(2)18(3)16-19/h5-14,16H,4,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyCCHDAMKZJZKWQU-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.60
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide

N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide (PubChem CID 4948024) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
PubChem CID4948024
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C25H26N2O3/c1-4-15-30-23-12-8-6-10-21(23)25(29)27-22-11-7-5-9-20(22)24(28)26-19-14-13-17(2)18(3)16-19/h5-14,16H,4,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyCCHDAMKZJZKWQU-UHFFFAOYSA-N
XLogP5.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
3-bromo-4-butoxy-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 4955844
3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxybenzamide
CID 17343107
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
CID 28637999
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
2,5-dimethyl-N-(2-propoxyphenyl)benzamide
CID 78772580
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide (CID 4948024) is N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide is CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide?
The InChIKey is CCHDAMKZJZKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-4-15-30-23-12-8-6-10-21(23)25(29)27-22-11-7-5-9-20(22)24(28)26-19-14-13-17(2)18(3)16-19/h5-14,16H,4,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide?
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide is sourced from PubChem (CID 4948024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).