[3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate

C22H29NO5 — CID 123373671

IUPAC[3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate
SMILESC=CCCCCN(C)C(=O)C1CC(OC(=O)c2ccccc2)CC1C(=O)OC
InChIInChI=1S/C22H29NO5/c1-4-5-6-10-13-23(2)20(24)18-14-17(15-19(18)22(26)27-3)28-21(25)16-11-8-7-9-12-16/h4,7-9,11-12,17-19H,1,5-6,10,13-15H2,2-3H3
InChIKeyZTVUPLXSYOCJFH-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.23
Rot. Bonds9

About [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate

[3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate (PubChem CID 123373671) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate.

Molecular Properties

Compound Name[3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate
PubChem CID123373671
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name[3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate
SMILESC=CCCCCN(C)C(=O)C1CC(OC(=O)c2ccccc2)CC1C(=O)OC
InChIInChI=1S/C22H29NO5/c1-4-5-6-10-13-23(2)20(24)18-14-17(15-19(18)22(26)27-3)28-21(25)16-11-8-7-9-12-16/h4,7-9,11-12,17-19H,1,5-6,10,13-15H2,2-3H3
InChIKeyZTVUPLXSYOCJFH-UHFFFAOYSA-N
XLogP3.23
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,3R,4R)-3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate
CID 89341174
methyl 3-[[(1R,3R,4R)-3-[[1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl]oxycarbonylamino]benzoate
CID 143731970
undec-10-enoyl benzenecarboperoxoate
CID 14098196
[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate
CID 176887704
(3-methoxycarbonylcyclopentyl) benzoate
CID 135191852
[(1R,2S,3R,5R)-2-benzoyloxy-5-(hydroxymethyl)-3-methoxycarbonylcyclopentyl] benzoate
CID 10046407
ethyl 2-ethenyl-1-[[2-[hex-5-enyl(methyl)carbamoyl]-4-(2-methoxy-6-phenylpyrimidin-4-yl)oxycyclopentanecarbonyl]amino]cyclopropane-1-carboxylate
CID 68590970
(2S)-2-amino-N-hept-6-enyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119328123
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
[3-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl] 3,4-dihydro-2H-quinoline-1-carboxylate
CID 68881638
3-[[hept-6-enyl(methyl)amino]methyl]benzoic acid
CID 122029140
N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide
CID 129178537

Frequently Asked Questions

What is the IUPAC name of [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate?
The IUPAC name of [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate (CID 123373671) is [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate.
What is the SMILES notation for [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate?
The canonical SMILES for [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate is C=CCCCCN(C)C(=O)C1CC(OC(=O)c2ccccc2)CC1C(=O)OC.
What is the InChIKey of [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate?
The InChIKey is ZTVUPLXSYOCJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-4-5-6-10-13-23(2)20(24)18-14-17(15-19(18)22(26)27-3)28-21(25)16-11-8-7-9-12-16/h4,7-9,11-12,17-19H,1,5-6,10,13-15H2,2-3H3.
What are the key properties of [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate?
[3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate has a molecular weight of 387.48 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[hex-5-enyl(methyl)carbamoyl]-4-methoxycarbonylcyclopentyl] benzoate is sourced from PubChem (CID 123373671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).