cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide

C20H22N2O3 — CID 97204314

IUPACcis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C20H22N2O3/c23-19(17-12-16(17)18-7-4-10-25-18)21-13-14-5-3-6-15(11-14)20(24)22-8-1-2-9-22/h3-7,10-11,16-17H,1-2,8-9,12-13H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyKWJGJBIYHIAXEG-SJORKVTESA-N
MW338.41 g/mol
LogP2.94
Rot. Bonds5

About cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 97204314) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID97204314
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namecis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C20H22N2O3/c23-19(17-12-16(17)18-7-4-10-25-18)21-13-14-5-3-6-15(11-14)20(24)22-8-1-2-9-22/h3-7,10-11,16-17H,1-2,8-9,12-13H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyKWJGJBIYHIAXEG-SJORKVTESA-N
XLogP2.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97011479
2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 75526323
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852864
N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450071
4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 55722351
2-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 47466338
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282
2-(furan-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 86852632
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852828
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 97204314) is cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cccc(C(=O)N2CCCC2)c1)[C@H]1C[C@H]1c1ccco1.
What is the InChIKey of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is KWJGJBIYHIAXEG-SJORKVTESA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(17-12-16(17)18-7-4-10-25-18)21-13-14-5-3-6-15(11-14)20(24)22-8-1-2-9-22/h3-7,10-11,16-17H,1-2,8-9,12-13H2,(H,21,23)/t16-,17+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97204314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).