3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide

C13H21N3O2 — CID 114041350

IUPAC3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1cccc(C)c1N
InChIInChI=1S/C13H21N3O2/c1-10-4-3-5-11(13(10)14)15-7-6-12(17)16-8-9-18-2/h3-5,15H,6-9,14H2,1-2H3,(H,16,17)
InChIKeyWNTWLVSVGSUARR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds7

About 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide

3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 114041350) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID114041350
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1cccc(C)c1N
InChIInChI=1S/C13H21N3O2/c1-10-4-3-5-11(13(10)14)15-7-6-12(17)16-8-9-18-2/h3-5,15H,6-9,14H2,1-2H3,(H,16,17)
InChIKeyWNTWLVSVGSUARR-UHFFFAOYSA-N
XLogP1.14
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041348
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
CID 106234418
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
N-(2-methoxyethyl)-3-(2-methyl-4-nitroanilino)propanamide
CID 115671732

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide (CID 114041350) is 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1cccc(C)c1N.
What is the InChIKey of 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is WNTWLVSVGSUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-4-3-5-11(13(10)14)15-7-6-12(17)16-8-9-18-2/h3-5,15H,6-9,14H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114041350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).