1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

C16H24N2O3 — CID 42928160

IUPAC1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-11(17-16(19)18-12-6-4-5-7-12)14-10-13(20-2)8-9-15(14)21-3/h8-12H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyFTEQBVLYWSBYSO-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (PubChem CID 42928160) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
PubChem CID42928160
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-11(17-16(19)18-12-6-4-5-7-12)14-10-13(20-2)8-9-15(14)21-3/h8-12H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyFTEQBVLYWSBYSO-UHFFFAOYSA-N
XLogP3.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 51127813
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 85020035
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (CID 42928160) is 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is COc1ccc(OC)c(C(C)NC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The InChIKey is FTEQBVLYWSBYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(17-16(19)18-12-6-4-5-7-12)14-10-13(20-2)8-9-15(14)21-3/h8-12H,4-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea has a molecular weight of 292.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 42928160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).