(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide

C16H24N2O5 — CID 144580065

IUPAC(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide
SMILESCON(C)C=O.COc1ccc(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C13H17NO3.C3H7NO2/c1-16-11-6-5-10(9-12(11)17-2)13(15)14-7-3-4-8-14;1-4(3-5)6-2/h5-6,9H,3-4,7-8H2,1-2H3;3H,1-2H3
InChIKeyPEUMUCBWIRFSIS-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.58
Rot. Bonds5

About (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide

(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide (PubChem CID 144580065) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide
PubChem CID144580065
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide
SMILESCON(C)C=O.COc1ccc(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C13H17NO3.C3H7NO2/c1-16-11-6-5-10(9-12(11)17-2)13(15)14-7-3-4-8-14;1-4(3-5)6-2/h5-6,9H,3-4,7-8H2,1-2H3;3H,1-2H3
InChIKeyPEUMUCBWIRFSIS-UHFFFAOYSA-N
XLogP1.58
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(4-iodo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 155908718
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
1,3-benzodioxol-5-yl-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543812
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
(4-tert-butyl-1,4-diazepan-1-yl)-(3,4-dimethoxyphenyl)methanone
CID 47085264
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide?
The IUPAC name of (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide (CID 144580065) is (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide.
What is the SMILES notation for (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide?
The canonical SMILES for (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide is CON(C)C=O.COc1ccc(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide?
The InChIKey is PEUMUCBWIRFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.C3H7NO2/c1-16-11-6-5-10(9-12(11)17-2)13(15)14-7-3-4-8-14;1-4(3-5)6-2/h5-6,9H,3-4,7-8H2,1-2H3;3H,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide?
(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide has a molecular weight of 324.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide is sourced from PubChem (CID 144580065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).