N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide

C20H26N2O3 — CID 76807669

IUPACN-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc2oc(C3CCCCC3)cc2c1)C1NCCC1O
InChIInChI=1S/C20H26N2O3/c23-16-8-9-21-19(16)20(24)22-12-13-6-7-17-15(10-13)11-18(25-17)14-4-2-1-3-5-14/h6-7,10-11,14,16,19,21,23H,1-5,8-9,12H2,(H,22,24)
InChIKeyATWCYMALROOVAW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.82
Rot. Bonds4

About N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide

N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide (PubChem CID 76807669) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide
PubChem CID76807669
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc2oc(C3CCCCC3)cc2c1)C1NCCC1O
InChIInChI=1S/C20H26N2O3/c23-16-8-9-21-19(16)20(24)22-12-13-6-7-17-15(10-13)11-18(25-17)14-4-2-1-3-5-14/h6-7,10-11,14,16,19,21,23H,1-5,8-9,12H2,(H,22,24)
InChIKeyATWCYMALROOVAW-UHFFFAOYSA-N
XLogP2.82
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[(2-heptyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 58507026
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
ethyl 5-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate
CID 130409953
(2S,3S)-N-[(4-fluoro-2-octyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 58507050
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706
N-[4-(3-cyclohexylpropyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide
CID 75103478
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 166158839
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2S,3S)-N-[[3-(4-heptylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 45256740
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
CID 107067835

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide (CID 76807669) is N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide is O=C(NCc1ccc2oc(C3CCCCC3)cc2c1)C1NCCC1O.
What is the InChIKey of N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ATWCYMALROOVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-16-8-9-21-19(16)20(24)22-12-13-6-7-17-15(10-13)11-18(25-17)14-4-2-1-3-5-14/h6-7,10-11,14,16,19,21,23H,1-5,8-9,12H2,(H,22,24).
What are the key properties of N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide?
N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyl-1-benzofuran-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 76807669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).