N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide

C17H28N2O — CID 109033115

IUPACN-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H28N2O/c1-5-10-19(11-6-2)12-9-17(20)18-16-13-14(3)7-8-15(16)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,18,20)
InChIKeyXAUYDJUPQSDLOQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.75
Rot. Bonds8

About N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide

N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide (PubChem CID 109033115) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
PubChem CID109033115
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H28N2O/c1-5-10-19(11-6-2)12-9-17(20)18-16-13-14(3)7-8-15(16)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,18,20)
InChIKeyXAUYDJUPQSDLOQ-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid
CID 82326667
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326666
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide (CID 109033115) is N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide is CCCN(CCC)CCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide?
The InChIKey is XAUYDJUPQSDLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-10-19(11-6-2)12-9-17(20)18-16-13-14(3)7-8-15(16)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide?
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide is sourced from PubChem (CID 109033115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).