2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide

C13H21N3O — CID 43777083

IUPAC2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide
SMILESCC(NC(C)c1ccc(N(C)C)cc1)C(N)=O
InChIInChI=1S/C13H21N3O/c1-9(15-10(2)13(14)17)11-5-7-12(8-6-11)16(3)4/h5-10,15H,1-4H3,(H2,14,17)
InChIKeyBWNVFQBCNIUVPK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.28
Rot. Bonds5

About 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide

2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide (PubChem CID 43777083) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide
PubChem CID43777083
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide
SMILESCC(NC(C)c1ccc(N(C)C)cc1)C(N)=O
InChIInChI=1S/C13H21N3O/c1-9(15-10(2)13(14)17)11-5-7-12(8-6-11)16(3)4/h5-10,15H,1-4H3,(H2,14,17)
InChIKeyBWNVFQBCNIUVPK-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide
CID 107705454
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
2-[4-(dimethylamino)phenyl]-2-(4-methylanilino)acetamide
CID 61006085
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
ethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 54921228
2-[[4-(dimethylamino)benzoyl]amino]propanediamide
CID 25471332
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide?
The IUPAC name of 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide (CID 43777083) is 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide.
What is the SMILES notation for 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide?
The canonical SMILES for 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide is CC(NC(C)c1ccc(N(C)C)cc1)C(N)=O.
What is the InChIKey of 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide?
The InChIKey is BWNVFQBCNIUVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(15-10(2)13(14)17)11-5-7-12(8-6-11)16(3)4/h5-10,15H,1-4H3,(H2,14,17).
What are the key properties of 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide?
2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide is sourced from PubChem (CID 43777083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).