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

C16H25N3O — CID 104502586

IUPAC3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
SMILESCC(CC(=O)NCCN(C)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-12(13-3-5-14(17)6-4-13)11-16(20)18-9-10-19(2)15-7-8-15/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyYQJRNWKTJOJRSV-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.97
Rot. Bonds7

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

3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide (PubChem CID 104502586) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
PubChem CID104502586
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
SMILESCC(CC(=O)NCCN(C)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-12(13-3-5-14(17)6-4-13)11-16(20)18-9-10-19(2)15-7-8-15/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyYQJRNWKTJOJRSV-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.97
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]butanamide
CID 113420011
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 104502203
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843
3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
CID 104502419
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide (CID 104502586) is 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide is CC(CC(=O)NCCN(C)C1CC1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide?
The InChIKey is YQJRNWKTJOJRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(13-3-5-14(17)6-4-13)11-16(20)18-9-10-19(2)15-7-8-15/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide?
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide has a molecular weight of 275.40 g/mol, XLogP of 1.97, 7 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-[cyclopropyl(methyl)amino]ethyl]butanamide is sourced from PubChem (CID 104502586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).