3-(3,4-dimethylphenyl)-3-(propylamino)propanamide

C14H22N2O — CID 65235384

IUPAC3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-7-16-13(9-14(15)17)12-6-5-10(2)11(3)8-12/h5-6,8,13,16H,4,7,9H2,1-3H3,(H2,15,17)
InChIKeyGHLPNKUKEJJYDW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.22
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide

3-(3,4-dimethylphenyl)-3-(propylamino)propanamide (PubChem CID 65235384) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
PubChem CID65235384
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-7-16-13(9-14(15)17)12-6-5-10(2)11(3)8-12/h5-6,8,13,16H,4,7,9H2,1-3H3,(H2,15,17)
InChIKeyGHLPNKUKEJJYDW-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
3-(3-methylphenyl)-3-(propylamino)propanamide
CID 65235426
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
3-phenyl-3-(propylamino)propanamide
CID 65235689
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
3-(ethylamino)-3-(4-fluoro-3-methylphenyl)propanamide
CID 65234003
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide (CID 65235384) is 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide?
The InChIKey is GHLPNKUKEJJYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-7-16-13(9-14(15)17)12-6-5-10(2)11(3)8-12/h5-6,8,13,16H,4,7,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide?
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-3-(propylamino)propanamide is sourced from PubChem (CID 65235384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).