N-butyl-N-methyl-2-(3-methylanilino)propanamide

C15H24N2O — CID 112501604

IUPACN-butyl-N-methyl-2-(3-methylanilino)propanamide
SMILESCCCCN(C)C(=O)C(C)Nc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-5-6-10-17(4)15(18)13(3)16-14-9-7-8-12(2)11-14/h7-9,11,13,16H,5-6,10H2,1-4H3
InChIKeyMMHMEPOWCUZNJH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.05
Rot. Bonds6

About N-butyl-N-methyl-2-(3-methylanilino)propanamide

N-butyl-N-methyl-2-(3-methylanilino)propanamide (PubChem CID 112501604) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(3-methylanilino)propanamide
PubChem CID112501604
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-butyl-N-methyl-2-(3-methylanilino)propanamide
SMILESCCCCN(C)C(=O)C(C)Nc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-5-6-10-17(4)15(18)13(3)16-14-9-7-8-12(2)11-14/h7-9,11,13,16H,5-6,10H2,1-4H3
InChIKeyMMHMEPOWCUZNJH-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 34421744
2-(3-methylanilino)heptanoic acid
CID 54890661
(2R)-N-(2-cyanoethyl)-N-methyl-2-(3-propoxyanilino)propanamide
CID 96531118
ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112995384

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(3-methylanilino)propanamide?
The IUPAC name of N-butyl-N-methyl-2-(3-methylanilino)propanamide (CID 112501604) is N-butyl-N-methyl-2-(3-methylanilino)propanamide.
What is the SMILES notation for N-butyl-N-methyl-2-(3-methylanilino)propanamide?
The canonical SMILES for N-butyl-N-methyl-2-(3-methylanilino)propanamide is CCCCN(C)C(=O)C(C)Nc1cccc(C)c1.
What is the InChIKey of N-butyl-N-methyl-2-(3-methylanilino)propanamide?
The InChIKey is MMHMEPOWCUZNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-6-10-17(4)15(18)13(3)16-14-9-7-8-12(2)11-14/h7-9,11,13,16H,5-6,10H2,1-4H3.
What are the key properties of N-butyl-N-methyl-2-(3-methylanilino)propanamide?
N-butyl-N-methyl-2-(3-methylanilino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(3-methylanilino)propanamide is sourced from PubChem (CID 112501604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).