1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide

C20H26N2O3 — CID 71918441

IUPAC1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CCCN3C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-16-8-6-15(7-9-16)20(10-11-20)13-21-18(23)17-3-2-12-22(17)19(24)14-4-5-14/h6-9,14,17H,2-5,10-13H2,1H3,(H,21,23)
InChIKeyFUYJUARDGWEANT-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.24
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 71918441) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
PubChem CID71918441
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CCCN3C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-16-8-6-15(7-9-16)20(10-11-20)13-21-18(23)17-3-2-12-22(17)19(24)14-4-5-14/h6-9,14,17H,2-5,10-13H2,1H3,(H,21,23)
InChIKeyFUYJUARDGWEANT-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 97211501
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 125436839
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410982
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
1-N-(4-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 3219657
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide (CID 71918441) is 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide is COc1ccc(C2(CNC(=O)C3CCCN3C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FUYJUARDGWEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-16-8-6-15(7-9-16)20(10-11-20)13-21-18(23)17-3-2-12-22(17)19(24)14-4-5-14/h6-9,14,17H,2-5,10-13H2,1H3,(H,21,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71918441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).