2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide

C13H20N2O3 — CID 43214431

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)C)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-15(2)13(16)9-14-8-10-5-6-11(17-3)7-12(10)18-4/h5-7,14H,8-9H2,1-4H3
InChIKeyURFQKJSFNJSPLJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.88
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide

2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide (PubChem CID 43214431) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
PubChem CID43214431
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)C)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-15(2)13(16)9-14-8-10-5-6-11(17-3)7-12(10)18-4/h5-7,14H,8-9H2,1-4H3
InChIKeyURFQKJSFNJSPLJ-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
CID 170597186
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
CID 9480532
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide (CID 43214431) is 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide is COc1ccc(CNCC(=O)N(C)C)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide?
The InChIKey is URFQKJSFNJSPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)13(16)9-14-8-10-5-6-11(17-3)7-12(10)18-4/h5-7,14H,8-9H2,1-4H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide?
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43214431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).