4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

C19H18N2O3 — CID 143927256

IUPAC4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-14-9-7-13(8-10-14)21-19(23)16-11-12-5-3-4-6-15(12)17(20)18(16)22/h3-11,22H,2,20H2,1H3,(H,21,23)
InChIKeyTYTQVFVTIOSGCS-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.78
Rot. Bonds4

About 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 143927256) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID143927256
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-14-9-7-13(8-10-14)21-19(23)16-11-12-5-3-4-6-15(12)17(20)18(16)22/h3-11,22H,2,20H2,1H3,(H,21,23)
InChIKeyTYTQVFVTIOSGCS-UHFFFAOYSA-N
XLogP3.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 145215535
4-chloro-3-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136708333
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
5-chloro-2-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-ethylbenzenesulfonic acid
CID 136708499
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-chloro-4-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-3-methylbenzenesulfonic acid
CID 136708285
2-chloro-4-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-5-methylbenzenesulfonic acid
CID 136708299
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831
4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide;(E)-2-(methyliminomethyl)pent-2-enenitrile;(Z)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 143927355

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (CID 143927256) is 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide is CCOc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is TYTQVFVTIOSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-14-9-7-13(8-10-14)21-19(23)16-11-12-5-3-4-6-15(12)17(20)18(16)22/h3-11,22H,2,20H2,1H3,(H,21,23).
What are the key properties of 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 143927256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).