1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea

C20H19N3O4 — CID 59321650

IUPAC1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea
SMILESCCOc1ccc(NC(=O)NNC(=O)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-2-27-15-10-8-14(9-11-15)21-20(26)23-22-19(25)18-16-6-4-3-5-13(16)7-12-17(18)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyGQLMFMRRMTWRMK-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea

1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea (PubChem CID 59321650) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea
PubChem CID59321650
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea
SMILESCCOc1ccc(NC(=O)NNC(=O)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-2-27-15-10-8-14(9-11-15)21-20(26)23-22-19(25)18-16-6-4-3-5-13(16)7-12-17(18)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyGQLMFMRRMTWRMK-UHFFFAOYSA-N
XLogP3.41
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 86575073
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea (CID 59321650) is 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea is CCOc1ccc(NC(=O)NNC(=O)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea?
The InChIKey is GQLMFMRRMTWRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-27-15-10-8-14(9-11-15)21-20(26)23-22-19(25)18-16-6-4-3-5-13(16)7-12-17(18)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea?
1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea has a molecular weight of 365.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea is sourced from PubChem (CID 59321650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).