1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea

C20H19N3O3 — CID 24818766

IUPAC1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCCOc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O3/c1-2-26-18-10-6-5-9-17(18)21-20(25)23-22-19(24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyZHDBPWAFXLBDPO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea

1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea (PubChem CID 24818766) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea
PubChem CID24818766
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCCOc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O3/c1-2-26-18-10-6-5-9-17(18)21-20(25)23-22-19(24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyZHDBPWAFXLBDPO-UHFFFAOYSA-N
XLogP3.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N'-[2-(2-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 1047417
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea
CID 17374507
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
3-ethoxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 24585783
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea (CID 24818766) is 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea is CCOc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea?
The InChIKey is ZHDBPWAFXLBDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-26-18-10-6-5-9-17(18)21-20(25)23-22-19(24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea?
1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea has a molecular weight of 349.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea is sourced from PubChem (CID 24818766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).