2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide

C14H23N3O — CID 80556205

IUPAC2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,11-5-7-12(15)8-6-11)13(18)17(4)10-9-16-3/h5-8,16H,9-10,15H2,1-4H3
InChIKeyLHFQMADVDURCSM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.22
Rot. Bonds5

About 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide

2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide (PubChem CID 80556205) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
PubChem CID80556205
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,11-5-7-12(15)8-6-11)13(18)17(4)10-9-16-3/h5-8,16H,9-10,15H2,1-4H3
InChIKeyLHFQMADVDURCSM-UHFFFAOYSA-N
XLogP1.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
3-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119233245
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
CID 104502669
2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 80556223
2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 80555000
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 80555225
2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 80555053

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide (CID 80556205) is 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide is CNCCN(C)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is LHFQMADVDURCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,11-5-7-12(15)8-6-11)13(18)17(4)10-9-16-3/h5-8,16H,9-10,15H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide?
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 80556205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).