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

C18H20N2O4 — CID 108540575

IUPACN-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-2-24-16-8-6-13(7-9-16)17(22)19-10-11-20-18(23)14-4-3-5-15(21)12-14/h3-9,12,21H,2,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBMAXNFGRKHHTRD-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds7

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

N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide (PubChem CID 108540575) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
PubChem CID108540575
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-2-24-16-8-6-13(7-9-16)17(22)19-10-11-20-18(23)14-4-3-5-15(21)12-14/h3-9,12,21H,2,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBMAXNFGRKHHTRD-UHFFFAOYSA-N
XLogP1.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.95
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-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide (CID 108540575) is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide is CCOc1ccc(C(=O)NCCNC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide?
The InChIKey is BMAXNFGRKHHTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-24-16-8-6-13(7-9-16)17(22)19-10-11-20-18(23)14-4-3-5-15(21)12-14/h3-9,12,21H,2,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide?
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 108540575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).