3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide

C13H20N2O2 — CID 102694281

IUPAC3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
SMILESCOC(C)CNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-10(17-2)9-15-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyKTHFNMMMGWFWGJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.35
Rot. Bonds6

About 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide

3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide (PubChem CID 102694281) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
PubChem CID102694281
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
SMILESCOC(C)CNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-10(17-2)9-15-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyKTHFNMMMGWFWGJ-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
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]-2-methoxypropanoic acid
CID 106108939
3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341571
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 61036910
3-(4-aminophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 106242200
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
CID 103879309
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide (CID 102694281) is 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide is COC(C)CNC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide?
The InChIKey is KTHFNMMMGWFWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(17-2)9-15-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide?
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide is sourced from PubChem (CID 102694281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).