3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide

C16H18N2O3 — CID 107811332

IUPAC3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
SMILESCOc1cccc(C(O)CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H18N2O3/c1-21-14-7-3-4-11(9-14)15(19)10-18-13-6-2-5-12(8-13)16(17)20/h2-9,15,18-19H,10H2,1H3,(H2,17,20)
InChIKeyFMPNZVJLERSYCD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.94
Rot. Bonds6

About 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide

3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide (PubChem CID 107811332) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
PubChem CID107811332
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
SMILESCOc1cccc(C(O)CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H18N2O3/c1-21-14-7-3-4-11(9-14)15(19)10-18-13-6-2-5-12(8-13)16(17)20/h2-9,15,18-19H,10H2,1H3,(H2,17,20)
InChIKeyFMPNZVJLERSYCD-UHFFFAOYSA-N
XLogP1.94
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81134083
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide
CID 111750584
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide?
The IUPAC name of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide (CID 107811332) is 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide?
The canonical SMILES for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide is COc1cccc(C(O)CNc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide?
The InChIKey is FMPNZVJLERSYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-14-7-3-4-11(9-14)15(19)10-18-13-6-2-5-12(8-13)16(17)20/h2-9,15,18-19H,10H2,1H3,(H2,17,20).
What are the key properties of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide?
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide is sourced from PubChem (CID 107811332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).