1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea

C20H23N3O2 — CID 69451896

IUPAC1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea
SMILESCCOc1cccc(NC(=O)Nc2ccc(C3=CCNCC3)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-2-25-19-5-3-4-18(14-19)23-20(24)22-17-8-6-15(7-9-17)16-10-12-21-13-11-16/h3-10,14,21H,2,11-13H2,1H3,(H2,22,23,24)
InChIKeyISOBPPSUNGDLDO-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.11
Rot. Bonds5

About 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea

1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea (PubChem CID 69451896) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea
PubChem CID69451896
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea
SMILESCCOc1cccc(NC(=O)Nc2ccc(C3=CCNCC3)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-2-25-19-5-3-4-18(14-19)23-20(24)22-17-8-6-15(7-9-17)16-10-12-21-13-11-16/h3-10,14,21H,2,11-13H2,1H3,(H2,22,23,24)
InChIKeyISOBPPSUNGDLDO-UHFFFAOYSA-N
XLogP4.11
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
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2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
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1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
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1-cyclopentyl-3-(3-ethoxyphenyl)urea
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(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
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1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea (CID 69451896) is 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea is CCOc1cccc(NC(=O)Nc2ccc(C3=CCNCC3)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea?
The InChIKey is ISOBPPSUNGDLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-25-19-5-3-4-18(14-19)23-20(24)22-17-8-6-15(7-9-17)16-10-12-21-13-11-16/h3-10,14,21H,2,11-13H2,1H3,(H2,22,23,24).
What are the key properties of 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea?
1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea has a molecular weight of 337.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea is sourced from PubChem (CID 69451896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).