3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide

C13H20N2O3 — CID 68684023

IUPAC3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-14-13(16)5-6-15(2)10-7-11(17-3)9-12(8-10)18-4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyWGWJDONTWJYREK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.28
Rot. Bonds6

About 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide

3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide (PubChem CID 68684023) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide
PubChem CID68684023
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-14-13(16)5-6-15(2)10-7-11(17-3)9-12(8-10)18-4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyWGWJDONTWJYREK-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
(E)-3-[3-fluoro-5-[methyl-[3-(methylamino)-3-oxopropyl]amino]phenyl]prop-2-enoic acid
CID 106916906
3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
CID 106914418
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
N'-(3-methoxy-5-nitrophenyl)-N,N'-dimethylethane-1,2-diamine
CID 80736689
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026
4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
CID 115235550
methyl 2-amino-4-fluoro-5-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzoate
CID 106917729

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide?
The IUPAC name of 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide (CID 68684023) is 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide?
The canonical SMILES for 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide is CNC(=O)CCN(C)c1cc(OC)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide?
The InChIKey is WGWJDONTWJYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-13(16)5-6-15(2)10-7-11(17-3)9-12(8-10)18-4/h7-9H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide?
3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide is sourced from PubChem (CID 68684023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).