N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide

C19H30N2O4 — CID 108966884

IUPACN-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C19H30N2O4/c1-7-11-21(12-8-2)18(23)19(3,4)17(22)20-15-13-14(24-5)9-10-16(15)25-6/h9-10,13H,7-8,11-12H2,1-6H3,(H,20,22)
InChIKeySCLDZSJPCACTAD-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.32
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide

N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide (PubChem CID 108966884) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
PubChem CID108966884
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C19H30N2O4/c1-7-11-21(12-8-2)18(23)19(3,4)17(22)20-15-13-14(24-5)9-10-16(15)25-6/h9-10,13H,7-8,11-12H2,1-6H3,(H,20,22)
InChIKeySCLDZSJPCACTAD-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919718
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958853
N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969640
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
CID 108511949
N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108963293
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide (CID 108966884) is N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide is CCCN(CCC)C(=O)C(C)(C)C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
The InChIKey is SCLDZSJPCACTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-11-21(12-8-2)18(23)19(3,4)17(22)20-15-13-14(24-5)9-10-16(15)25-6/h9-10,13H,7-8,11-12H2,1-6H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide has a molecular weight of 350.46 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide is sourced from PubChem (CID 108966884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).