N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide

C19H23N3O2 — CID 54795313

IUPACN-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-3-18(23)21-16-9-11-17(12-10-16)22-19(24)13-6-14-4-7-15(20)8-5-14/h4-5,7-12H,2-3,6,13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyXRJCCBXINXTTKZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.58
Rot. Bonds7

About N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide

N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide (PubChem CID 54795313) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
PubChem CID54795313
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-3-18(23)21-16-9-11-17(12-10-16)22-19(24)13-6-14-4-7-15(20)8-5-14/h4-5,7-12H,2-3,6,13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyXRJCCBXINXTTKZ-UHFFFAOYSA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
1-(4-aminophenyl)hexan-3-one
CID 116605405
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
2-[4-(butanoylamino)phenyl]ethyl formate
CID 87851880
2-(4-aminophenoxy)-N-(4-propylphenyl)acetamide
CID 61027141

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide?
The IUPAC name of N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide (CID 54795313) is N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide?
The canonical SMILES for N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide?
The InChIKey is XRJCCBXINXTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-18(23)21-16-9-11-17(12-10-16)22-19(24)13-6-14-4-7-15(20)8-5-14/h4-5,7-12H,2-3,6,13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide?
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide is sourced from PubChem (CID 54795313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).