N-(4-aminobutyl)-3-(4-aminophenyl)propanamide

C13H21N3O — CID 115341376

IUPACN-(4-aminobutyl)-3-(4-aminophenyl)propanamide
SMILESNCCCCNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c14-9-1-2-10-16-13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,1-2,5,8-10,14-15H2,(H,16,17)
InChIKeyQBYCNALOTRQNTH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.06
Rot. Bonds7

About N-(4-aminobutyl)-3-(4-aminophenyl)propanamide

N-(4-aminobutyl)-3-(4-aminophenyl)propanamide (PubChem CID 115341376) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-(4-aminophenyl)propanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-(4-aminophenyl)propanamide
PubChem CID115341376
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(4-aminobutyl)-3-(4-aminophenyl)propanamide
SMILESNCCCCNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c14-9-1-2-10-16-13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,1-2,5,8-10,14-15H2,(H,16,17)
InChIKeyQBYCNALOTRQNTH-UHFFFAOYSA-N
XLogP1.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
4-(4-aminophenyl)-N-(5-oxohexyl)butanamide
CID 23579156
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
CID 63228293
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 62499083

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-(4-aminophenyl)propanamide?
The IUPAC name of N-(4-aminobutyl)-3-(4-aminophenyl)propanamide (CID 115341376) is N-(4-aminobutyl)-3-(4-aminophenyl)propanamide.
What is the SMILES notation for N-(4-aminobutyl)-3-(4-aminophenyl)propanamide?
The canonical SMILES for N-(4-aminobutyl)-3-(4-aminophenyl)propanamide is NCCCCNC(=O)CCc1ccc(N)cc1.
What is the InChIKey of N-(4-aminobutyl)-3-(4-aminophenyl)propanamide?
The InChIKey is QBYCNALOTRQNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-9-1-2-10-16-13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,1-2,5,8-10,14-15H2,(H,16,17).
What are the key properties of N-(4-aminobutyl)-3-(4-aminophenyl)propanamide?
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-(4-aminophenyl)propanamide is sourced from PubChem (CID 115341376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).