N-butyl-N-methyl-3-(3-methylanilino)propanamide

C15H24N2O — CID 109032339

IUPACN-butyl-N-methyl-3-(3-methylanilino)propanamide
SMILESCCCCN(C)C(=O)CCNc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-4-5-11-17(3)15(18)9-10-16-14-8-6-7-13(2)12-14/h6-8,12,16H,4-5,9-11H2,1-3H3
InChIKeyKHBZXFUEYHTZKJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.06
Rot. Bonds7

About N-butyl-N-methyl-3-(3-methylanilino)propanamide

N-butyl-N-methyl-3-(3-methylanilino)propanamide (PubChem CID 109032339) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(3-methylanilino)propanamide
PubChem CID109032339
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-butyl-N-methyl-3-(3-methylanilino)propanamide
SMILESCCCCN(C)C(=O)CCNc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-4-5-11-17(3)15(18)9-10-16-14-8-6-7-13(2)12-14/h6-8,12,16H,4-5,9-11H2,1-3H3
InChIKeyKHBZXFUEYHTZKJ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
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CID 112501604
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
6-(3-methylanilino)hexan-3-one
CID 10798292
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 23577992
N-butyl-3-(2-methoxyanilino)-N-methylpropanamide
CID 109032376
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112995384
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 34421744
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butyl-3-methylaniline;phenol
CID 18006904

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(3-methylanilino)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(3-methylanilino)propanamide (CID 109032339) is N-butyl-N-methyl-3-(3-methylanilino)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(3-methylanilino)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(3-methylanilino)propanamide is CCCCN(C)C(=O)CCNc1cccc(C)c1.
What is the InChIKey of N-butyl-N-methyl-3-(3-methylanilino)propanamide?
The InChIKey is KHBZXFUEYHTZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-11-17(3)15(18)9-10-16-14-8-6-7-13(2)12-14/h6-8,12,16H,4-5,9-11H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-(3-methylanilino)propanamide?
N-butyl-N-methyl-3-(3-methylanilino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(3-methylanilino)propanamide is sourced from PubChem (CID 109032339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).