N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide

C15H24N2O — CID 28755736

IUPACN-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)c1ccc(CCCN)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)11-15(18)17(3)14-8-6-13(7-9-14)5-4-10-16/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyVHKWJQARGOPINX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds6

About N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide

N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide (PubChem CID 28755736) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
PubChem CID28755736
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)c1ccc(CCCN)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)11-15(18)17(3)14-8-6-13(7-9-14)5-4-10-16/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyVHKWJQARGOPINX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-N,3-dimethylbutanamide
CID 113094936
2-hydroxy-N-methyl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 115139668
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
methyl-(4-propylphenyl)carbamic acid
CID 115170704
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
4-amino-N-(4-ethylphenyl)-3-methoxy-N-methylbutanamide
CID 103155730
4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
CID 54058207
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
N-(4-aminobutyl)-N-[4-(2-methylpropyl)phenyl]propanamide
CID 19018999

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide (CID 28755736) is N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)c1ccc(CCCN)cc1.
What is the InChIKey of N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide?
The InChIKey is VHKWJQARGOPINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)11-15(18)17(3)14-8-6-13(7-9-14)5-4-10-16/h6-9,12H,4-5,10-11,16H2,1-3H3.
What are the key properties of N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide?
N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 28755736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).