3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide

C17H18N2O4 — CID 99797134

IUPAC3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1cccc(C(N)=O)c1)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c1-11(12-4-2-6-14(20)8-12)19-16(21)10-23-15-7-3-5-13(9-15)17(18)22/h2-9,11,20H,10H2,1H3,(H2,18,22)(H,19,21)/t11-/m1/s1
InChIKeyBPDSFNSLVBEVLH-LLVKDONJSA-N
MW314.34 g/mol
LogP1.75
Rot. Bonds6

About 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide

3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 99797134) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID99797134
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1cccc(C(N)=O)c1)c1cccc(O)c1
InChIInChI=1S/C17H18N2O4/c1-11(12-4-2-6-14(20)8-12)19-16(21)10-23-15-7-3-5-13(9-15)17(18)22/h2-9,11,20H,10H2,1H3,(H2,18,22)(H,19,21)/t11-/m1/s1
InChIKeyBPDSFNSLVBEVLH-LLVKDONJSA-N
XLogP1.75
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 55680949
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7694493
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931207
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide (CID 99797134) is 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide is C[C@@H](NC(=O)COc1cccc(C(N)=O)c1)c1cccc(O)c1.
What is the InChIKey of 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is BPDSFNSLVBEVLH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(12-4-2-6-14(20)8-12)19-16(21)10-23-15-7-3-5-13(9-15)17(18)22/h2-9,11,20H,10H2,1H3,(H2,18,22)(H,19,21)/t11-/m1/s1.
What are the key properties of 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide?
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 314.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 99797134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).