3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide

C17H28N2O — CID 109032470

IUPAC3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-5-7-12-18(4)13-11-17(20)19(6-2)16-10-8-9-15(3)14-16/h8-10,14H,5-7,11-13H2,1-4H3
InChIKeyXMHZWSQYPIXERW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.47
Rot. Bonds8

About 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide

3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 109032470) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID109032470
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-5-7-12-18(4)13-11-17(20)19(6-2)16-10-8-9-15(3)14-16/h8-10,14H,5-7,11-13H2,1-4H3
InChIKeyXMHZWSQYPIXERW-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
1-(3-methylphenyl)-1-pentylurea
CID 3032149
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (CID 109032470) is 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is CCCCN(C)CCC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is XMHZWSQYPIXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-12-18(4)13-11-17(20)19(6-2)16-10-8-9-15(3)14-16/h8-10,14H,5-7,11-13H2,1-4H3.
What are the key properties of 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109032470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).