ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate

C18H24N2O4 — CID 101430909

IUPACethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@H]1CC=C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-3-23-17(21)19-20(18(22)24-4-2)16-12-8-11-15(16)13-14-9-6-5-7-10-14/h5-11,15-16H,3-4,12-13H2,1-2H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyPRIPQZAGKBZUIQ-CVEARBPZSA-N
MW332.40 g/mol
LogP3.29
Rot. Bonds5

About ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate

ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate (PubChem CID 101430909) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate.

Molecular Properties

Compound Nameethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate
PubChem CID101430909
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@H]1CC=C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-3-23-17(21)19-20(18(22)24-4-2)16-12-8-11-15(16)13-14-9-6-5-7-10-14/h5-11,15-16H,3-4,12-13H2,1-2H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyPRIPQZAGKBZUIQ-CVEARBPZSA-N
XLogP3.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate
CID 101427492
benzyl N-(phenylmethoxycarbonylamino)-N-[(1S,2S)-2-propan-2-ylcyclopent-3-en-1-yl]carbamate
CID 101430908
ethyl N-(ethoxycarbonylamino)-N-[2-(2-pyrazol-1-ylphenyl)cyclopent-3-en-1-yl]carbamate
CID 135022616
benzyl N-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopent-3-en-1-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 134850930
ethyl N-[(3aR,4R,6aR)-1-acetyl-2-phenyl-4,6a-dihydro-3aH-cyclopenta[b]pyrrol-4-yl]-N-(ethoxycarbonylamino)carbamate
CID 132822239
ethyl N-[benzyl(tert-butyl)amino]carbamate
CID 142916028
ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045
benzyl N-[(1R,2S)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 15645376
ethyl N-[(6R,7R)-6-(4-bromophenyl)spiro[2.4]hept-4-en-7-yl]-N-(ethoxycarbonylamino)carbamate
CID 134841404
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate?
The IUPAC name of ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate (CID 101430909) is ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate.
What is the SMILES notation for ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate?
The canonical SMILES for ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate is CCOC(=O)NN(C(=O)OCC)[C@H]1CC=C[C@@H]1Cc1ccccc1.
What is the InChIKey of ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate?
The InChIKey is PRIPQZAGKBZUIQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-23-17(21)19-20(18(22)24-4-2)16-12-8-11-15(16)13-14-9-6-5-7-10-14/h5-11,15-16H,3-4,12-13H2,1-2H3,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate?
ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate has a molecular weight of 332.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate is sourced from PubChem (CID 101430909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).