N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide

C17H22N2O4 — CID 110445207

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CCC(=O)N3)CC2)cc1OC
InChIInChI=1S/C17H22N2O4/c1-22-13-5-3-11(9-14(13)23-2)17(7-8-17)10-18-16(21)12-4-6-15(20)19-12/h3,5,9,12H,4,6-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKJZQWXLCNJXHNU-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.13
Rot. Bonds6

About N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide

N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110445207) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110445207
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CCC(=O)N3)CC2)cc1OC
InChIInChI=1S/C17H22N2O4/c1-22-13-5-3-11(9-14(13)23-2)17(7-8-17)10-18-16(21)12-4-6-15(20)19-12/h3,5,9,12H,4,6-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKJZQWXLCNJXHNU-UHFFFAOYSA-N
XLogP1.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794314
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
CID 113090881
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795519
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 94221439
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 110445207) is N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(C2(CNC(=O)C3CCC(=O)N3)CC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KJZQWXLCNJXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-13-5-3-11(9-14(13)23-2)17(7-8-17)10-18-16(21)12-4-6-15(20)19-12/h3,5,9,12H,4,6-8,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110445207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).