1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

C19H19N3O2 — CID 113214747

IUPAC1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-17-7-5-15(6-8-17)19(9-10-19)13-21-18(23)22-16-4-2-3-14(11-16)12-20/h2-8,11H,9-10,13H2,1H3,(H2,21,22,23)
InChIKeyXTMOEWOOLDNTLK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 113214747) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID113214747
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-17-7-5-15(6-8-17)19(9-10-19)13-21-18(23)22-16-4-2-3-14(11-16)12-20/h2-8,11H,9-10,13H2,1H3,(H2,21,22,23)
InChIKeyXTMOEWOOLDNTLK-UHFFFAOYSA-N
XLogP3.42
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
CID 113214561
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983097
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (CID 113214747) is 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is COc1ccc(C2(CNC(=O)Nc3cccc(C#N)c3)CC2)cc1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is XTMOEWOOLDNTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-17-7-5-15(6-8-17)19(9-10-19)13-21-18(23)22-16-4-2-3-14(11-16)12-20/h2-8,11H,9-10,13H2,1H3,(H2,21,22,23).
What are the key properties of 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 321.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).