N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide

C15H25N3O — CID 43570657

IUPACN-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
SMILESCCC(CC)N(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-4-12(5-2)18(3)11-10-15(19)17-14-9-7-6-8-13(14)16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyODPUEIMONDHTHT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds7

About N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide

N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide (PubChem CID 43570657) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
PubChem CID43570657
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
SMILESCCC(CC)N(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-4-12(5-2)18(3)11-10-15(19)17-14-9-7-6-8-13(14)16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyODPUEIMONDHTHT-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937
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)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985430
N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 63842600
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 114948159
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide (CID 43570657) is N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide is CCC(CC)N(C)CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide?
The InChIKey is ODPUEIMONDHTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(5-2)18(3)11-10-15(19)17-14-9-7-6-8-13(14)16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide?
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide is sourced from PubChem (CID 43570657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).