2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide

C14H22N2O3 — CID 82978813

IUPAC2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(OC)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-5-16(10-14(18)15(2)3)9-11-6-7-13(19-4)12(17)8-11/h6-8,17H,5,9-10H2,1-4H3
InChIKeyVXQFGKAEQWAZCA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.31
Rot. Bonds6

About 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide

2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide (PubChem CID 82978813) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
PubChem CID82978813
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(OC)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-5-16(10-14(18)15(2)3)9-11-6-7-13(19-4)12(17)8-11/h6-8,17H,5,9-10H2,1-4H3
InChIKeyVXQFGKAEQWAZCA-UHFFFAOYSA-N
XLogP1.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
2-[(4-carbamothioyl-3-methoxyphenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 106788800
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554
3-[2-[2-carboxyethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]propanoic acid
CID 23205610
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 119744992
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
2-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 103947530
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide (CID 82978813) is 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1ccc(OC)c(O)c1.
What is the InChIKey of 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide?
The InChIKey is VXQFGKAEQWAZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-16(10-14(18)15(2)3)9-11-6-7-13(19-4)12(17)8-11/h6-8,17H,5,9-10H2,1-4H3.
What are the key properties of 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 82978813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).