3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide

C15H24N2O — CID 54869448

IUPAC3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CC(C)N
InChIInChI=1S/C15H24N2O/c1-4-9-17(15(18)10-13(3)16)11-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11,16H2,1-3H3
InChIKeyZHJRMDUDJATNGT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.47
Rot. Bonds6

About 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide

3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide (PubChem CID 54869448) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
PubChem CID54869448
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CC(C)N
InChIInChI=1S/C15H24N2O/c1-4-9-17(15(18)10-13(3)16)11-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11,16H2,1-3H3
InChIKeyZHJRMDUDJATNGT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
3-amino-N,N-dipropylbutanamide
CID 60836307
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]propanoic acid
CID 122120137
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 103602434
3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 120873187
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
3-[butanoyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82323385
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
CID 103732461

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide (CID 54869448) is 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The canonical SMILES for 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide is CCCN(Cc1ccc(C)cc1)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
The InChIKey is ZHJRMDUDJATNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-9-17(15(18)10-13(3)16)11-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11,16H2,1-3H3.
What are the key properties of 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide?
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide is sourced from PubChem (CID 54869448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).