N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide

C16H17NO3 — CID 22070464

IUPACN-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(O)cc1)Cc1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-12(18)17(10-13-5-7-15(19)8-6-13)11-14-3-2-4-16(20)9-14/h2-9,19-20H,10-11H2,1H3
InChIKeyGUJDEEMDNXVOPJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide

N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide (PubChem CID 22070464) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide
PubChem CID22070464
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(O)cc1)Cc1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-12(18)17(10-13-5-7-15(19)8-6-13)11-14-3-2-4-16(20)9-14/h2-9,19-20H,10-11H2,1H3
InChIKeyGUJDEEMDNXVOPJ-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

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-ethyl-N-[(4-hydroxyphenyl)methyl]acetamide
CID 20594014
N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 84820781
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-ethylphenol;4-ethylphenol
CID 70541430
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
CID 84592072
methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
CID 89030323
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide (CID 22070464) is N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide is CC(=O)N(Cc1ccc(O)cc1)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide?
The InChIKey is GUJDEEMDNXVOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(18)17(10-13-5-7-15(19)8-6-13)11-14-3-2-4-16(20)9-14/h2-9,19-20H,10-11H2,1H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide?
N-[(3-hydroxyphenyl)methyl]-N-[(4-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-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 22070464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).