1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea

C17H20N2O2 — CID 11536518

IUPAC1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
SMILESCCOc1cccc(NC(=O)Nc2ccc(CC)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-13-8-10-14(11-9-13)18-17(20)19-15-6-5-7-16(12-15)21-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyDUKCBPXKONIODN-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.29
Rot. Bonds5

About 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea

1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea (PubChem CID 11536518) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
PubChem CID11536518
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
SMILESCCOc1cccc(NC(=O)Nc2ccc(CC)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-13-8-10-14(11-9-13)18-17(20)19-15-6-5-7-16(12-15)21-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyDUKCBPXKONIODN-UHFFFAOYSA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea
CID 69451896
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide
CID 54967319
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea (CID 11536518) is 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea is CCOc1cccc(NC(=O)Nc2ccc(CC)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea?
The InChIKey is DUKCBPXKONIODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-13-8-10-14(11-9-13)18-17(20)19-15-6-5-7-16(12-15)21-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea?
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 11536518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).