N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide

C16H18N2O2 — CID 81090221

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
SMILESNCc1ccc(CNC(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18N2O2/c17-10-13-1-3-14(4-2-13)11-18-16(20)9-12-5-7-15(19)8-6-12/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyMOQOJYUBTWEYAS-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.71
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 81090221) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID81090221
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
SMILESNCc1ccc(CNC(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18N2O2/c17-10-13-1-3-14(4-2-13)11-18-16(20)9-12-5-7-15(19)8-6-12/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyMOQOJYUBTWEYAS-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107674361
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
CID 107670516
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906
2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
CID 137320446

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide (CID 81090221) is N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide is NCc1ccc(CNC(=O)Cc2ccc(O)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is MOQOJYUBTWEYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-10-13-1-3-14(4-2-13)11-18-16(20)9-12-5-7-15(19)8-6-12/h1-8,19H,9-11,17H2,(H,18,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 81090221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).