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

C13H20N2O2 — CID 109015044

IUPACN-(2-methoxyethyl)-3-(3-methylanilino)propanamide
SMILESCOCCNC(=O)CCNc1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)14-7-6-13(16)15-8-9-17-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyGDVSAYOMUFYMNZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds7

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

N-(2-methoxyethyl)-3-(3-methylanilino)propanamide (PubChem CID 109015044) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methylanilino)propanamide
PubChem CID109015044
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-methoxyethyl)-3-(3-methylanilino)propanamide
SMILESCOCCNC(=O)CCNc1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)14-7-6-13(16)15-8-9-17-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyGDVSAYOMUFYMNZ-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-methylanilino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methylanilino)propanamide (CID 109015044) is N-(2-methoxyethyl)-3-(3-methylanilino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methylanilino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methylanilino)propanamide is COCCNC(=O)CCNc1cccc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methylanilino)propanamide?
The InChIKey is GDVSAYOMUFYMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)14-7-6-13(16)15-8-9-17-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-3-(3-methylanilino)propanamide?
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-methylanilino)propanamide is sourced from PubChem (CID 109015044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).