3-(2,5-dimethylphenyl)-3-(propylamino)butanamide

C15H24N2O — CID 65235843

IUPAC3-(2,5-dimethylphenyl)-3-(propylamino)butanamide
SMILESCCCNC(C)(CC(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-5-8-17-15(4,10-14(16)18)13-9-11(2)6-7-12(13)3/h6-7,9,17H,5,8,10H2,1-4H3,(H2,16,18)
InChIKeyJAFNEJYQWGKOPA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds6

About 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide

3-(2,5-dimethylphenyl)-3-(propylamino)butanamide (PubChem CID 65235843) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-3-(propylamino)butanamide
PubChem CID65235843
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(2,5-dimethylphenyl)-3-(propylamino)butanamide
SMILESCCCNC(C)(CC(N)=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-5-8-17-15(4,10-14(16)18)13-9-11(2)6-7-12(13)3/h6-7,9,17H,5,8,10H2,1-4H3,(H2,16,18)
InChIKeyJAFNEJYQWGKOPA-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)-3-(methylamino)butanamide
CID 65236175
3-(2,4-dimethylphenyl)-3-(ethylamino)butanamide
CID 65234113
3-(3,4-difluorophenyl)-3-(propylamino)butanamide
CID 65235585
3-(4-methylphenyl)-3-(propylamino)pentanamide
CID 54274951
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
2-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]acetamide
CID 115260324
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
CID 60995327
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide?
The IUPAC name of 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide (CID 65235843) is 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide?
The canonical SMILES for 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide is CCCNC(C)(CC(N)=O)c1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide?
The InChIKey is JAFNEJYQWGKOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-8-17-15(4,10-14(16)18)13-9-11(2)6-7-12(13)3/h6-7,9,17H,5,8,10H2,1-4H3,(H2,16,18).
What are the key properties of 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide?
3-(2,5-dimethylphenyl)-3-(propylamino)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-3-(propylamino)butanamide is sourced from PubChem (CID 65235843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).