1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea

C21H24N2O3 — CID 52858727

IUPAC1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(C(C)=O)c3)CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(24)16-6-5-7-18(14-16)22-20(25)23-21(12-3-4-13-21)17-8-10-19(26-2)11-9-17/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyHSGOUIVIBGQIGG-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.49
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea

1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea (PubChem CID 52858727) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea
PubChem CID52858727
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(C(C)=O)c3)CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(24)16-6-5-7-18(14-16)22-20(25)23-21(12-3-4-13-21)17-8-10-19(26-2)11-9-17/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyHSGOUIVIBGQIGG-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215717
1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215697
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
methyl 3-[[1-(4-methoxyphenyl)cyclopentyl]carbamothioylamino]benzoate
CID 100769976
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215721
1-[1-(4-methoxyphenyl)cyclopropyl]-3-(4-propan-2-ylphenyl)urea
CID 113215661
1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215332
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
[4-[1-(4-methoxyphenyl)cyclododecyl]phenyl] 3-acetylbenzoate
CID 153428107

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea (CID 52858727) is 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea is COc1ccc(C2(NC(=O)Nc3cccc(C(C)=O)c3)CCCC2)cc1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea?
The InChIKey is HSGOUIVIBGQIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(24)16-6-5-7-18(14-16)22-20(25)23-21(12-3-4-13-21)17-8-10-19(26-2)11-9-17/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea?
1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea has a molecular weight of 352.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea is sourced from PubChem (CID 52858727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).