ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate

C18H24N2O5 — CID 101427492

IUPACethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@H]1CC=CC1c1ccccc1OC
InChIInChI=1S/C18H24N2O5/c1-4-24-17(21)19-20(18(22)25-5-2)15-11-8-10-13(15)14-9-6-7-12-16(14)23-3/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,19,21)/t13?,15-/m0/s1
InChIKeyQZPXAPDPDDYIBZ-WUJWULDRSA-N
MW348.40 g/mol
LogP3.23
Rot. Bonds5

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

ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate (PubChem CID 101427492) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate
PubChem CID101427492
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@H]1CC=CC1c1ccccc1OC
InChIInChI=1S/C18H24N2O5/c1-4-24-17(21)19-20(18(22)25-5-2)15-11-8-10-13(15)14-9-6-7-12-16(14)23-3/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,19,21)/t13?,15-/m0/s1
InChIKeyQZPXAPDPDDYIBZ-WUJWULDRSA-N
XLogP3.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(ethoxycarbonylamino)-N-[2-(2-pyrazol-1-ylphenyl)cyclopent-3-en-1-yl]carbamate
CID 135022616
ethyl N-(ethoxycarbonylamino)-N-[2-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopent-3-en-1-yl]carbamate
CID 135023087
ethyl N-[(1S,2S)-2-benzylcyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate
CID 101430909
ethyl N-[(6R,7R)-6-(4-bromophenyl)spiro[2.4]hept-4-en-7-yl]-N-(ethoxycarbonylamino)carbamate
CID 134841404
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
propan-2-yl N-[(1R,2S)-2-[2-(1H-imidazol-2-yl)-3-[(1R,5S)-5-[propan-2-yloxycarbonyl-(propan-2-yloxycarbonylamino)amino]cyclopent-2-en-1-yl]phenyl]cyclopent-3-en-1-yl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 102141300
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
ethyl N-[(1R,5R)-2-cyclohexylidene-5-(2-pyrazol-1-ylphenyl)cyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate
CID 102141302
ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate
CID 101228986
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045
ethyl N-[(3aR,4R,6aR)-1-acetyl-2-phenyl-4,6a-dihydro-3aH-cyclopenta[b]pyrrol-4-yl]-N-(ethoxycarbonylamino)carbamate
CID 132822239
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162395

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate (CID 101427492) is ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate is CCOC(=O)NN(C(=O)OCC)[C@H]1CC=CC1c1ccccc1OC.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate?
The InChIKey is QZPXAPDPDDYIBZ-WUJWULDRSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-4-24-17(21)19-20(18(22)25-5-2)15-11-8-10-13(15)14-9-6-7-12-16(14)23-3/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,19,21)/t13?,15-/m0/s1.
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate?
ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-[(1S)-2-(2-methoxyphenyl)cyclopent-3-en-1-yl]carbamate is sourced from PubChem (CID 101427492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).