N,N-bis[(2-hydroxyphenyl)methyl]acetamide

C16H17NO3 — CID 88774811

IUPACN,N-bis[(2-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1O)Cc1ccccc1O
InChIInChI=1S/C16H17NO3/c1-12(18)17(10-13-6-2-4-8-15(13)19)11-14-7-3-5-9-16(14)20/h2-9,19-20H,10-11H2,1H3
InChIKeyIZLSKNSUJGFDIW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds4

About N,N-bis[(2-hydroxyphenyl)methyl]acetamide

N,N-bis[(2-hydroxyphenyl)methyl]acetamide (PubChem CID 88774811) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N,N-bis[(2-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN,N-bis[(2-hydroxyphenyl)methyl]acetamide
PubChem CID88774811
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN,N-bis[(2-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1O)Cc1ccccc1O
InChIInChI=1S/C16H17NO3/c1-12(18)17(10-13-6-2-4-8-15(13)19)11-14-7-3-5-9-16(14)20/h2-9,19-20H,10-11H2,1H3
InChIKeyIZLSKNSUJGFDIW-UHFFFAOYSA-N
XLogP2.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[[acetyl(benzyl)amino]methyl]-4-hydroxyphenyl] acetate
CID 165350406
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 11496596
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
benzene;2-ethylphenol
CID 159726745

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-hydroxyphenyl)methyl]acetamide?
The IUPAC name of N,N-bis[(2-hydroxyphenyl)methyl]acetamide (CID 88774811) is N,N-bis[(2-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for N,N-bis[(2-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for N,N-bis[(2-hydroxyphenyl)methyl]acetamide is CC(=O)N(Cc1ccccc1O)Cc1ccccc1O.
What is the InChIKey of N,N-bis[(2-hydroxyphenyl)methyl]acetamide?
The InChIKey is IZLSKNSUJGFDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(18)17(10-13-6-2-4-8-15(13)19)11-14-7-3-5-9-16(14)20/h2-9,19-20H,10-11H2,1H3.
What are the key properties of N,N-bis[(2-hydroxyphenyl)methyl]acetamide?
N,N-bis[(2-hydroxyphenyl)methyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 88774811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).