N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide

C15H24N2O — CID 28766792

IUPACN-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1N(CCCN)C(=O)CC(C)C
InChIInChI=1S/C15H24N2O/c1-12(2)11-15(18)17(10-6-9-16)14-8-5-4-7-13(14)3/h4-5,7-8,12H,6,9-11,16H2,1-3H3
InChIKeyNONXVKXBJYLMHH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds6

About N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide

N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide (PubChem CID 28766792) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
PubChem CID28766792
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1N(CCCN)C(=O)CC(C)C
InChIInChI=1S/C15H24N2O/c1-12(2)11-15(18)17(10-6-9-16)14-8-5-4-7-13(14)3/h4-5,7-8,12H,6,9-11,16H2,1-3H3
InChIKeyNONXVKXBJYLMHH-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
N-(3-aminopropyl)-N-(2-methylphenyl)-2-propoxyacetamide
CID 107937233
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
CID 43318701
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide
CID 43318826
2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 61486808
N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 28767782
N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 43318651
2-[2-fluoro-N-(3-methylbutanoyl)anilino]acetic acid
CID 28765412
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
CID 114824117

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide?
The IUPAC name of N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide (CID 28766792) is N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide?
The canonical SMILES for N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide is Cc1ccccc1N(CCCN)C(=O)CC(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide?
The InChIKey is NONXVKXBJYLMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)11-15(18)17(10-6-9-16)14-8-5-4-7-13(14)3/h4-5,7-8,12H,6,9-11,16H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide?
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 28766792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).