ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate

C22H29NO4 — CID 42782284

IUPACethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1cccc2c1OCC2)C1CCCCC1
InChIInChI=1S/C22H29NO4/c1-2-26-22(25)19-13-16(19)14-23(17-8-4-3-5-9-17)21(24)18-10-6-7-15-11-12-27-20(15)18/h6-7,10,16-17,19H,2-5,8-9,11-14H2,1H3
InChIKeyVYSFTKLDMPGLRO-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate

ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 42782284) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID42782284
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Nameethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1cccc2c1OCC2)C1CCCCC1
InChIInChI=1S/C22H29NO4/c1-2-26-22(25)19-13-16(19)14-23(17-8-4-3-5-9-17)21(24)18-10-6-7-15-11-12-27-20(15)18/h6-7,10,16-17,19H,2-5,8-9,11-14H2,1H3
InChIKeyVYSFTKLDMPGLRO-UHFFFAOYSA-N
XLogP3.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate (CID 42782284) is ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(C(=O)c1cccc2c1OCC2)C1CCCCC1.
What is the InChIKey of ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is VYSFTKLDMPGLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-2-26-22(25)19-13-16(19)14-23(17-8-4-3-5-9-17)21(24)18-10-6-7-15-11-12-27-20(15)18/h6-7,10,16-17,19H,2-5,8-9,11-14H2,1H3.
What are the key properties of ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 42782284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).