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

C13H21N3O2 — CID 61429180

IUPACN-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
SMILESCOCCN(C)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H21N3O2/c1-10(16(2)7-8-18-3)13(17)15-12-6-4-5-11(14)9-12/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyNXFANRJSUYUSSG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds6

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

N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide (PubChem CID 61429180) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
PubChem CID61429180
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
SMILESCOCCN(C)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H21N3O2/c1-10(16(2)7-8-18-3)13(17)15-12-6-4-5-11(14)9-12/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyNXFANRJSUYUSSG-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
CID 55000887
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-aminophenyl)propanamide
CID 103101365
2-[[1-(3-aminoanilino)-3-methyl-1-oxobutan-2-yl]-methylamino]acetic acid
CID 82224656

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide (CID 61429180) is N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide is COCCN(C)C(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
The InChIKey is NXFANRJSUYUSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(16(2)7-8-18-3)13(17)15-12-6-4-5-11(14)9-12/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 61429180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).