3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea

C19H21N3O3 — CID 150358234

IUPAC3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOC1CC(N(Cc2ccc(C)o2)C(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C19H21N3O3/c1-13-3-8-17(25-13)12-22(16-9-18(10-16)24-2)19(23)21-15-6-4-14(11-20)5-7-15/h3-8,16,18H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyGVEJCSZKKHQBNB-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.67
Rot. Bonds5

About 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea

3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 150358234) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID150358234
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOC1CC(N(Cc2ccc(C)o2)C(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C19H21N3O3/c1-13-3-8-17(25-13)12-22(16-9-18(10-16)24-2)19(23)21-15-6-4-14(11-20)5-7-15/h3-8,16,18H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyGVEJCSZKKHQBNB-UHFFFAOYSA-N
XLogP3.67
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 151198154
3-[4-(3-aminoprop-1-ynyl)phenyl]-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea;1-cyclopentyl-3-(4-iodophenyl)-1-[(5-methylfuran-2-yl)methyl]urea;prop-2-yn-1-amine
CID 158136521
1-(1-benzofuran-2-ylmethyl)-3-(4-cyanophenyl)-1-cyclopentylurea
CID 151729622
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
2-[(4-cyanophenyl)carbamoyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 93109943
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 3882072
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea (CID 150358234) is 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea is COC1CC(N(Cc2ccc(C)o2)C(=O)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is GVEJCSZKKHQBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-3-8-17(25-13)12-22(16-9-18(10-16)24-2)19(23)21-15-6-4-14(11-20)5-7-15/h3-8,16,18H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea?
3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-1-(3-methoxycyclobutyl)-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 150358234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).