1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea

C15H20N2O3 — CID 108913424

IUPAC1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC=C2CCCC2)cc1OC
InChIInChI=1S/C15H20N2O3/c1-19-13-8-7-12(9-14(13)20-2)17-15(18)16-10-11-5-3-4-6-11/h7-10H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeySUVQIRGGIXFVBN-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.28
Rot. Bonds4

About 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea

1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea (PubChem CID 108913424) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea
PubChem CID108913424
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC=C2CCCC2)cc1OC
InChIInChI=1S/C15H20N2O3/c1-19-13-8-7-12(9-14(13)20-2)17-15(18)16-10-11-5-3-4-6-11/h7-10H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeySUVQIRGGIXFVBN-UHFFFAOYSA-N
XLogP3.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913080
1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914916
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
(3,4-dimethoxyphenyl)urea
CID 21197430
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea (CID 108913424) is 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC=C2CCCC2)cc1OC.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is SUVQIRGGIXFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-13-8-7-12(9-14(13)20-2)17-15(18)16-10-11-5-3-4-6-11/h7-10H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea?
1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 276.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 108913424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).