3-(3-methylphenyl)-3-(propylamino)propanamide

C13H20N2O — CID 65235426

IUPAC3-(3-methylphenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-3-7-15-12(9-13(14)16)11-6-4-5-10(2)8-11/h4-6,8,12,15H,3,7,9H2,1-2H3,(H2,14,16)
InChIKeyNWDILZHFHAOMFC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds6

About 3-(3-methylphenyl)-3-(propylamino)propanamide

3-(3-methylphenyl)-3-(propylamino)propanamide (PubChem CID 65235426) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-3-(propylamino)propanamide
PubChem CID65235426
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(3-methylphenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-3-7-15-12(9-13(14)16)11-6-4-5-10(2)8-11/h4-6,8,12,15H,3,7,9H2,1-2H3,(H2,14,16)
InChIKeyNWDILZHFHAOMFC-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-3-(propylamino)propanamide
CID 65235689
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
N-[1-(3-methylphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62473096
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3-(propylamino)propanamide?
The IUPAC name of 3-(3-methylphenyl)-3-(propylamino)propanamide (CID 65235426) is 3-(3-methylphenyl)-3-(propylamino)propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-3-(propylamino)propanamide?
The canonical SMILES for 3-(3-methylphenyl)-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenyl)-3-(propylamino)propanamide?
The InChIKey is NWDILZHFHAOMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-7-15-12(9-13(14)16)11-6-4-5-10(2)8-11/h4-6,8,12,15H,3,7,9H2,1-2H3,(H2,14,16).
What are the key properties of 3-(3-methylphenyl)-3-(propylamino)propanamide?
3-(3-methylphenyl)-3-(propylamino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3-(propylamino)propanamide is sourced from PubChem (CID 65235426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).