4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide

C14H22N2O4 — CID 120589966

IUPAC4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CC(CN)OC)cc1O
InChIInChI=1S/C14H22N2O4/c1-16(14(18)7-11(8-15)19-2)9-10-4-5-13(20-3)12(17)6-10/h4-6,11,17H,7-9,15H2,1-3H3
InChIKeyVLRHCMLQAHMRMH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.72
Rot. Bonds7

About 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide

4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide (PubChem CID 120589966) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
PubChem CID120589966
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CC(CN)OC)cc1O
InChIInChI=1S/C14H22N2O4/c1-16(14(18)7-11(8-15)19-2)9-10-4-5-13(20-3)12(17)6-10/h4-6,11,17H,7-9,15H2,1-3H3
InChIKeyVLRHCMLQAHMRMH-UHFFFAOYSA-N
XLogP0.72
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 119744992
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 81070299
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 71917845
(2S)-2-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119301215
4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
CID 120927235
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide?
The IUPAC name of 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide (CID 120589966) is 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide is COc1ccc(CN(C)C(=O)CC(CN)OC)cc1O.
What is the InChIKey of 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide?
The InChIKey is VLRHCMLQAHMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16(14(18)7-11(8-15)19-2)9-10-4-5-13(20-3)12(17)6-10/h4-6,11,17H,7-9,15H2,1-3H3.
What are the key properties of 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide?
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide has a molecular weight of 282.34 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 120589966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).