(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide

C18H18N2O3 — CID 25166096

IUPAC(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H]1CCCN1)oc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-22-17-9-12-11-5-2-3-7-15(11)23-16(12)10-14(17)20-18(21)13-6-4-8-19-13/h2-3,5,7,9-10,13,19H,4,6,8H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDHXPDDNEWFPYQB-ZDUSSCGKSA-N
MW310.35 g/mol
LogP3.29
Rot. Bonds3

About (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide

(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide (PubChem CID 25166096) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
PubChem CID25166096
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H]1CCCN1)oc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-22-17-9-12-11-5-2-3-7-15(11)23-16(12)10-14(17)20-18(21)13-6-4-8-19-13/h2-3,5,7,9-10,13,19H,4,6,8H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDHXPDDNEWFPYQB-ZDUSSCGKSA-N
XLogP3.29
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 68603513
tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 71570241
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 11874668
1-(4-fluorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413483
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404064

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide (CID 25166096) is (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide is COc1cc2c(cc1NC(=O)[C@@H]1CCCN1)oc1ccccc12.
What is the InChIKey of (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is DHXPDDNEWFPYQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-17-9-12-11-5-2-3-7-15(11)23-16(12)10-14(17)20-18(21)13-6-4-8-19-13/h2-3,5,7,9-10,13,19H,4,6,8H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 25166096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).