3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide

C14H23N3O — CID 104502669

IUPAC3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCN(C)C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-11(12-4-6-13(15)7-5-12)10-14(18)17(3)9-8-16-2/h4-7,11,16H,8-10,15H2,1-3H3
InChIKeyFXBJWDHAWZMPOK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds6

About 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide

3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide (PubChem CID 104502669) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
PubChem CID104502669
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCN(C)C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-11(12-4-6-13(15)7-5-12)10-14(18)17(3)9-8-16-2/h4-7,11,16H,8-10,15H2,1-3H3
InChIKeyFXBJWDHAWZMPOK-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
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

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
CID 104502295

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide (CID 104502669) is 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide is CNCCN(C)C(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide?
The InChIKey is FXBJWDHAWZMPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(12-4-6-13(15)7-5-12)10-14(18)17(3)9-8-16-2/h4-7,11,16H,8-10,15H2,1-3H3.
What are the key properties of 3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide?
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.44, 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-methyl-N-[2-(methylamino)ethyl]butanamide is sourced from PubChem (CID 104502669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).