2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide

C14H22N2O4 — CID 82979091

IUPAC2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1cccc(OC)c1O
InChIInChI=1S/C14H22N2O4/c1-16(10-13(17)15-7-8-19-2)9-11-5-4-6-12(20-3)14(11)18/h4-6,18H,7-10H2,1-3H3,(H,15,17)
InChIKeyUDOGMFOLFMXHNC-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.60
Rot. Bonds8

About 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 82979091) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID82979091
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1cccc(OC)c1O
InChIInChI=1S/C14H22N2O4/c1-16(10-13(17)15-7-8-19-2)9-11-5-4-6-12(20-3)14(11)18/h4-6,18H,7-10H2,1-3H3,(H,15,17)
InChIKeyUDOGMFOLFMXHNC-UHFFFAOYSA-N
XLogP0.60
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
N-[2-(2-methoxyphenoxy)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791050
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979017
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
2-[(4-amino-2-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 54989202
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
2-[2-(2-aminophenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62495396
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 82979091) is 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)Cc1cccc(OC)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is UDOGMFOLFMXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16(10-13(17)15-7-8-19-2)9-11-5-4-6-12(20-3)14(11)18/h4-6,18H,7-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82979091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).