N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide

C16H18N2O2 — CID 86805772

IUPACN-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(19)18(2)15-5-3-4-14(10-15)17-11-13-6-8-16(20)9-7-13/h3-10,17,20H,11H2,1-2H3
InChIKeyHQYNJQPDWGUTPZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds4

About N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide

N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 86805772) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID86805772
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(19)18(2)15-5-3-4-14(10-15)17-11-13-6-8-16(20)9-7-13/h3-10,17,20H,11H2,1-2H3
InChIKeyHQYNJQPDWGUTPZ-UHFFFAOYSA-N
XLogP2.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide
CID 75387090
N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 86793126
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 46761852
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide (CID 86805772) is N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(NCc2ccc(O)cc2)c1.
What is the InChIKey of N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is HQYNJQPDWGUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(19)18(2)15-5-3-4-14(10-15)17-11-13-6-8-16(20)9-7-13/h3-10,17,20H,11H2,1-2H3.
What are the key properties of N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 86805772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).