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

C11H17N3O2 — CID 43627652

IUPACN-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
SMILESCON(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C11H17N3O2/c1-14(16-2)8-7-11(15)13-10-6-4-3-5-9(10)12/h3-6H,7-8,12H2,1-2H3,(H,13,15)
InChIKeyAHFWUNAGOVSGIZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.09
Rot. Bonds5

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

N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide (PubChem CID 43627652) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
PubChem CID43627652
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
SMILESCON(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C11H17N3O2/c1-14(16-2)8-7-11(15)13-10-6-4-3-5-9(10)12/h3-6H,7-8,12H2,1-2H3,(H,13,15)
InChIKeyAHFWUNAGOVSGIZ-UHFFFAOYSA-N
XLogP1.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 114948159
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
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-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate
CID 43618100

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide (CID 43627652) is N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide is CON(C)CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide?
The InChIKey is AHFWUNAGOVSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(16-2)8-7-11(15)13-10-6-4-3-5-9(10)12/h3-6H,7-8,12H2,1-2H3,(H,13,15).
What are the key properties of N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide?
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide has a molecular weight of 223.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide is sourced from PubChem (CID 43627652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).