3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide

C17H28N2O — CID 109019798

IUPAC3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCCCN(CCC)CCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H28N2O/c1-4-11-19(12-5-2)13-10-17(20)18-14-16-8-6-15(3)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,18,20)
InChIKeyXPWNOUPDHKKPBP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.12
Rot. Bonds9

About 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide

3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 109019798) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID109019798
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCCCN(CCC)CCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H28N2O/c1-4-11-19(12-5-2)13-10-17(20)18-14-16-8-6-15(3)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,18,20)
InChIKeyXPWNOUPDHKKPBP-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
CID 109022613
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113124315
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide (CID 109019798) is 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide is CCCN(CCC)CCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is XPWNOUPDHKKPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-11-19(12-5-2)13-10-17(20)18-14-16-8-6-15(3)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,18,20).
What are the key properties of 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide?
3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).