N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide

C24H25N3O2 — CID 54795568

IUPACN-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
SMILESNc1cccc(CCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O2/c25-20-9-4-8-19(16-20)13-15-24(29)27-22-11-5-10-21(17-22)26-23(28)14-12-18-6-2-1-3-7-18/h1-11,16-17H,12-15,25H2,(H,26,28)(H,27,29)
InChIKeyLXVYYJCYDGQEHE-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.41
Rot. Bonds8

About N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide

N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide (PubChem CID 54795568) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
PubChem CID54795568
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
SMILESNc1cccc(CCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O2/c25-20-9-4-8-19(16-20)13-15-24(29)27-22-11-5-10-21(17-22)26-23(28)14-12-18-6-2-1-3-7-18/h1-11,16-17H,12-15,25H2,(H,26,28)(H,27,29)
InChIKeyLXVYYJCYDGQEHE-UHFFFAOYSA-N
XLogP4.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
3-(3-aminophenyl)-N-(3-nitrophenyl)propanamide
CID 115341147
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 43309050
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide (CID 54795568) is N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide is Nc1cccc(CCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1.
What is the InChIKey of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide?
The InChIKey is LXVYYJCYDGQEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c25-20-9-4-8-19(16-20)13-15-24(29)27-22-11-5-10-21(17-22)26-23(28)14-12-18-6-2-1-3-7-18/h1-11,16-17H,12-15,25H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide?
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide has a molecular weight of 387.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54795568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).