2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide

C13H20N2O3 — CID 114332045

IUPAC2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNCc1ccccc1O
InChIInChI=1S/C13H20N2O3/c1-10(9-18-2)15-13(17)8-14-7-11-5-3-4-6-12(11)16/h3-6,10,14,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyDYNDCHISBKURSP-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.63
Rot. Bonds7

About 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide

2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 114332045) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID114332045
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNCc1ccccc1O
InChIInChI=1S/C13H20N2O3/c1-10(9-18-2)15-13(17)8-14-7-11-5-3-4-6-12(11)16/h3-6,10,14,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyDYNDCHISBKURSP-UHFFFAOYSA-N
XLogP0.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(ethoxymethyl)phenyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60976872
2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60684118
N-(1-ethoxypropan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 78916993
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide
CID 64974525

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide (CID 114332045) is 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNCc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is DYNDCHISBKURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(9-18-2)15-13(17)8-14-7-11-5-3-4-6-12(11)16/h3-6,10,14,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114332045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).