N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide

C15H25N3O — CID 43268382

IUPACN-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
SMILESCCCN(CC)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-3-11-18(4-2)12-7-10-15(19)17-14-9-6-5-8-13(14)16/h5-6,8-9H,3-4,7,10-12,16H2,1-2H3,(H,17,19)
InChIKeyOHUPODHAYAHREV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds8

About N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide

N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide (PubChem CID 43268382) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
PubChem CID43268382
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
SMILESCCCN(CC)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-3-11-18(4-2)12-7-10-15(19)17-14-9-6-5-8-13(14)16/h5-6,8-9H,3-4,7,10-12,16H2,1-2H3,(H,17,19)
InChIKeyOHUPODHAYAHREV-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
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

N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide?
The IUPAC name of N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide (CID 43268382) is N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide is CCCN(CC)CCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide?
The InChIKey is OHUPODHAYAHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-11-18(4-2)12-7-10-15(19)17-14-9-6-5-8-13(14)16/h5-6,8-9H,3-4,7,10-12,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide?
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide has a molecular weight of 263.38 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide is sourced from PubChem (CID 43268382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).