4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide

C21H25N3O3 — CID 121062320

IUPAC4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-19(25)22-11-12-23-21(27)17-7-9-18(10-8-17)24-20(26)14-16-6-4-5-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyPUOCPKPOWDTJGZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds8

About 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide

4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 121062320) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID121062320
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-19(25)22-11-12-23-21(27)17-7-9-18(10-8-17)24-20(26)14-16-6-4-5-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyPUOCPKPOWDTJGZ-UHFFFAOYSA-N
XLogP2.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062388
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide (CID 121062320) is 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is PUOCPKPOWDTJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-19(25)22-11-12-23-21(27)17-7-9-18(10-8-17)24-20(26)14-16-6-4-5-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide?
4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 121062320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).