1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea

C18H22N2O3 — CID 156612611

IUPAC1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea
SMILESCCOc1ccc(OCC)c(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-3-22-16-10-11-17(23-4-2)14(12-16)13-19-18(21)20-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H2,19,20,21)
InChIKeyJHXDGKFXXQNHOI-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.81
Rot. Bonds7

About 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea

1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea (PubChem CID 156612611) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea
PubChem CID156612611
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea
SMILESCCOc1ccc(OCC)c(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-3-22-16-10-11-17(23-4-2)14(12-16)13-19-18(21)20-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H2,19,20,21)
InChIKeyJHXDGKFXXQNHOI-UHFFFAOYSA-N
XLogP3.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 26576
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
1-[2-(3,4-Diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
CID 934870
Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-
CID 93385
1-(P-Anisyl)-3-benzylurea
CID 2822852
1-(M-Anisyl)-3-benzylurea
CID 2822865
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
1-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11025578
1-(1-Benzyl-propyl)-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11760541
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
N-(2,3-dihydrobenzo[b]furan-5-ylmethyl)-N'-phenylurea
CID 2742252

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea (CID 156612611) is 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea is CCOc1ccc(OCC)c(CNC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea?
The InChIKey is JHXDGKFXXQNHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-22-16-10-11-17(23-4-2)14(12-16)13-19-18(21)20-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea?
1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea has a molecular weight of 314.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-diethoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 156612611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).