N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide

C12H17N3O2 — CID 43553907

IUPACN-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
SMILESNC(=O)CCNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C12H17N3O2/c13-10-4-1-9(2-5-10)3-6-12(17)15-8-7-11(14)16/h1-2,4-5H,3,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyCCXDXAGDOXNEPW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.19
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide

N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide (PubChem CID 43553907) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
PubChem CID43553907
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
SMILESNC(=O)CCNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C12H17N3O2/c13-10-4-1-9(2-5-10)3-6-12(17)15-8-7-11(14)16/h1-2,4-5H,3,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyCCXDXAGDOXNEPW-UHFFFAOYSA-N
XLogP0.19
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.19
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

3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
CID 63228293
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 62499083
4-[3-(4-aminophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107836146
3-(4-aminophenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 61117437
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide (CID 43553907) is N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide is NC(=O)CCNC(=O)CCc1ccc(N)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide?
The InChIKey is CCXDXAGDOXNEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10-4-1-9(2-5-10)3-6-12(17)15-8-7-11(14)16/h1-2,4-5H,3,6-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide?
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide is sourced from PubChem (CID 43553907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).