4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide

C21H25N3O4 — CID 42139578

IUPAC4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide
SMILESCOc1ccc(CCC(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-15(25)24-18-8-6-17(7-9-18)21(27)23-14-13-22-20(26)12-5-16-3-10-19(28-2)11-4-16/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyDVEABIFSCVDGTD-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.13
Rot. Bonds9

About 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide

4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide (PubChem CID 42139578) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide
PubChem CID42139578
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide
SMILESCOc1ccc(CCC(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-15(25)24-18-8-6-17(7-9-18)21(27)23-14-13-22-20(26)12-5-16-3-10-19(28-2)11-4-16/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyDVEABIFSCVDGTD-UHFFFAOYSA-N
XLogP2.13
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
CID 17359995
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide (CID 42139578) is 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide is COc1ccc(CCC(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide?
The InChIKey is DVEABIFSCVDGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15(25)24-18-8-6-17(7-9-18)21(27)23-14-13-22-20(26)12-5-16-3-10-19(28-2)11-4-16/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide?
4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 42139578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).