N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide

C21H25N3O3 — CID 55840659

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1
InChIInChI=1S/C21H25N3O3/c1-5-19(25)22-16-8-6-7-15(11-16)21(27)24-18-12-17(10-9-14(18)4)23-20(26)13(2)3/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyCMSIOGHVQBXYND-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.19
Rot. Bonds6

About N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide (PubChem CID 55840659) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
PubChem CID55840659
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1
InChIInChI=1S/C21H25N3O3/c1-5-19(25)22-16-8-6-7-15(11-16)21(27)24-18-12-17(10-9-14(18)4)23-20(26)13(2)3/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyCMSIOGHVQBXYND-UHFFFAOYSA-N
XLogP4.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
CID 55708450
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
CID 46761087
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide (CID 55840659) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide?
The InChIKey is CMSIOGHVQBXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-19(25)22-16-8-6-7-15(11-16)21(27)24-18-12-17(10-9-14(18)4)23-20(26)13(2)3/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide has a molecular weight of 367.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 55840659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).