N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide

C19H22N2O4 — CID 108541923

IUPACN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-2-25-17-8-6-14(7-9-17)12-18(23)20-10-11-21-19(24)15-4-3-5-16(22)13-15/h3-9,13,22H,2,10-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyJMPAHWUOSGATGW-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.88
Rot. Bonds8

About N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide

N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide (PubChem CID 108541923) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
PubChem CID108541923
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-2-25-17-8-6-14(7-9-17)12-18(23)20-10-11-21-19(24)15-4-3-5-16(22)13-15/h3-9,13,22H,2,10-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyJMPAHWUOSGATGW-UHFFFAOYSA-N
XLogP1.88
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
CID 108924311

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide (CID 108541923) is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide is CCOc1ccc(CC(=O)NCCNC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide?
The InChIKey is JMPAHWUOSGATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-25-17-8-6-14(7-9-17)12-18(23)20-10-11-21-19(24)15-4-3-5-16(22)13-15/h3-9,13,22H,2,10-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide?
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 108541923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).