ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate

C25H34N2O5 — CID 123986540

IUPACethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C=CCCCCN(C(=O)C1CC(O)CC1C(N)=O)c1ccccc1
InChIInChI=1S/C25H34N2O5/c1-2-32-25(31)20-14-17(20)10-6-3-4-9-13-27(18-11-7-5-8-12-18)24(30)22-16-19(28)15-21(22)23(26)29/h5-8,10-12,17,19-22,28H,2-4,9,13-16H2,1H3,(H2,26,29)
InChIKeyBILYPHHJEGNGJM-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.82
Rot. Bonds11

About ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate

ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate (PubChem CID 123986540) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate
PubChem CID123986540
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Nameethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C=CCCCCN(C(=O)C1CC(O)CC1C(N)=O)c1ccccc1
InChIInChI=1S/C25H34N2O5/c1-2-32-25(31)20-14-17(20)10-6-3-4-9-13-27(18-11-7-5-8-12-18)24(30)22-16-19(28)15-21(22)23(26)29/h5-8,10-12,17,19-22,28H,2-4,9,13-16H2,1H3,(H2,26,29)
InChIKeyBILYPHHJEGNGJM-UHFFFAOYSA-N
XLogP2.82
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate 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 2-benzoylcyclopropane-1-carboxylate
CID 15568394
ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
CID 42796797
ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate
CID 123260904
ethyl (1R,2S,4S)-4-(methoxymethoxy)-2-[(E,6S)-6-phenylmethoxyhept-1-enyl]cyclopentane-1-carboxylate
CID 10862358
ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131116
2-amino-N-butyl-N-phenylcyclopentane-1-carboxamide
CID 64850280
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
CID 7006445
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
cis-ethyl (1R,2S)-2-[(E)-oct-1-enyl]-2-phenylcyclopropane-1-carboxylate
CID 102475400

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate (CID 123986540) is ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1C=CCCCCN(C(=O)C1CC(O)CC1C(N)=O)c1ccccc1.
What is the InChIKey of ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate?
The InChIKey is BILYPHHJEGNGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-2-32-25(31)20-14-17(20)10-6-3-4-9-13-27(18-11-7-5-8-12-18)24(30)22-16-19(28)15-21(22)23(26)29/h5-8,10-12,17,19-22,28H,2-4,9,13-16H2,1H3,(H2,26,29).
What are the key properties of ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate?
ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate has a molecular weight of 442.56 g/mol, XLogP of 2.82, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(N-(2-carbamoyl-4-hydroxycyclopentanecarbonyl)anilino)hex-1-enyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 123986540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).