3-amino-N-ethyl-N-(3-methylphenyl)propanamide

C12H18N2O — CID 22692119

IUPAC3-amino-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN)c1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-3-14(12(15)7-8-13)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyZTWZKJAWNDEYHM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.70
Rot. Bonds4

About 3-amino-N-ethyl-N-(3-methylphenyl)propanamide

3-amino-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 22692119) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID22692119
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN)c1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-3-14(12(15)7-8-13)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyZTWZKJAWNDEYHM-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-amino-N-ethyl-N-(3-methylphenyl)propanamide (CID 22692119) is 3-amino-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-amino-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN)c1cccc(C)c1.
What is the InChIKey of 3-amino-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is ZTWZKJAWNDEYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14(12(15)7-8-13)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,13H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-(3-methylphenyl)propanamide?
3-amino-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 22692119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).