N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide

C21H25N3O3 — CID 121062141

IUPACN-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)22-14-15-23-21(27)18-10-12-19(13-11-18)24-20(26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyJFVZIQIRJKYTLT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.51
Rot. Bonds9

About N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide

N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide (PubChem CID 121062141) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
PubChem CID121062141
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)22-14-15-23-21(27)18-10-12-19(13-11-18)24-20(26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyJFVZIQIRJKYTLT-UHFFFAOYSA-N
XLogP2.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.51
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-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
3-acetamido-N-phenylpropanamide
CID 7946185

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide (CID 121062141) is N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide?
The InChIKey is JFVZIQIRJKYTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)22-14-15-23-21(27)18-10-12-19(13-11-18)24-20(26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide?
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide is sourced from PubChem (CID 121062141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).