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

C13H21N3O2 — CID 114041348

IUPAC2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cccc(C)c1N
InChIInChI=1S/C13H21N3O2/c1-9-5-4-6-11(12(9)14)16-10(2)13(17)15-7-8-18-3/h4-6,10,16H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyTUSZLPWCKMMABN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds6

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

2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 114041348) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID114041348
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cccc(C)c1N
InChIInChI=1S/C13H21N3O2/c1-9-5-4-6-11(12(9)14)16-10(2)13(17)15-7-8-18-3/h4-6,10,16H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyTUSZLPWCKMMABN-UHFFFAOYSA-N
XLogP1.14
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107108545
2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
CID 107804570
2-[2-(difluoromethylsulfanyl)anilino]-N-(2-methoxyethyl)propanamide
CID 43088935
N-(2-methoxyethyl)-2-(2-methyl-4-nitroanilino)propanamide
CID 115573862
2-(2-carbamothioyl-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107929244
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide (CID 114041348) is 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is TUSZLPWCKMMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-5-4-6-11(12(9)14)16-10(2)13(17)15-7-8-18-3/h4-6,10,16H,7-8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide?
2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114041348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).