propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate

C16H22N2O3 — CID 7362057

IUPACpropan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate
SMILESCOc1ccc(C(=O)/N=C(\OC(C)C)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-16(18-10-4-5-11-18)17-15(19)13-6-8-14(20-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/b17-16-
InChIKeyZDTOVILOKNIPTR-MSUUIHNZSA-N
MW290.36 g/mol
LogP2.71
Rot. Bonds3

About propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate

propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate (PubChem CID 7362057) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate.

Molecular Properties

Compound Namepropan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate
PubChem CID7362057
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namepropan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate
SMILESCOc1ccc(C(=O)/N=C(\OC(C)C)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-16(18-10-4-5-11-18)17-15(19)13-6-8-14(20-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/b17-16-
InChIKeyZDTOVILOKNIPTR-MSUUIHNZSA-N
XLogP2.71
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-(4-methoxyphenyl)-N-methyl-1-piperidin-1-ylmethanimine
CID 3049237
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide
CID 12571173
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012
2-(4-methoxyphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196356
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate?
The IUPAC name of propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate (CID 7362057) is propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate.
What is the SMILES notation for propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate?
The canonical SMILES for propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate is COc1ccc(C(=O)/N=C(\OC(C)C)N2CCCC2)cc1.
What is the InChIKey of propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate?
The InChIKey is ZDTOVILOKNIPTR-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)21-16(18-10-4-5-11-18)17-15(19)13-6-8-14(20-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/b17-16-.
What are the key properties of propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate?
propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate has a molecular weight of 290.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-methoxybenzoyl)pyrrolidine-1-carboximidate is sourced from PubChem (CID 7362057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).