3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide

C18H30N2O2 — CID 20522202

IUPAC3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1c(C)cc(C)cc1OC
InChIInChI=1S/C18H30N2O2/c1-6-9-20(10-7-2)11-8-17(21)19-18-15(4)12-14(3)13-16(18)22-5/h12-13H,6-11H2,1-5H3,(H,19,21)
InChIKeyBOHBBUAYFRDLCD-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.76
Rot. Bonds9

About 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide

3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide (PubChem CID 20522202) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide
PubChem CID20522202
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1c(C)cc(C)cc1OC
InChIInChI=1S/C18H30N2O2/c1-6-9-20(10-7-2)11-8-17(21)19-18-15(4)12-14(3)13-16(18)22-5/h12-13H,6-11H2,1-5H3,(H,19,21)
InChIKeyBOHBBUAYFRDLCD-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
CID 115128687
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113122527
3-amino-4-(2-methoxy-4,6-dimethylanilino)-4-oxobutanoic acid
CID 115181240

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide (CID 20522202) is 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide is CCCN(CCC)CCC(=O)Nc1c(C)cc(C)cc1OC.
What is the InChIKey of 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide?
The InChIKey is BOHBBUAYFRDLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-9-20(10-7-2)11-8-17(21)19-18-15(4)12-14(3)13-16(18)22-5/h12-13H,6-11H2,1-5H3,(H,19,21).
What are the key properties of 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide?
3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide has a molecular weight of 306.45 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide is sourced from PubChem (CID 20522202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).