4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide

C16H18N2O2 — CID 43683690

IUPAC4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccccc2O)cc1
InChIInChI=1S/C16H18N2O2/c1-11(14-5-3-4-6-15(14)19)18-13-9-7-12(8-10-13)16(20)17-2/h3-11,18-19H,1-2H3,(H,17,20)
InChIKeyFAMBOODLMZSJJK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds4

About 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide

4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide (PubChem CID 43683690) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide
PubChem CID43683690
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccccc2O)cc1
InChIInChI=1S/C16H18N2O2/c1-11(14-5-3-4-6-15(14)19)18-13-9-7-12(8-10-13)16(20)17-2/h3-11,18-19H,1-2H3,(H,17,20)
InChIKeyFAMBOODLMZSJJK-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
N-methyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43683632
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-methylbenzamide
CID 11954
4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
CID 43721017
3-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzoic acid
CID 43727547
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714074
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide (CID 43683690) is 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(C)c2ccccc2O)cc1.
What is the InChIKey of 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide?
The InChIKey is FAMBOODLMZSJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(14-5-3-4-6-15(14)19)18-13-9-7-12(8-10-13)16(20)17-2/h3-11,18-19H,1-2H3,(H,17,20).
What are the key properties of 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide?
4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 43683690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).