[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

C17H26N2O3 — CID 110441411

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O3/c1-5-18(6-2)14-9-10-19(12-14)17(20)13-7-8-15(21-3)16(11-13)22-4/h7-8,11,14H,5-6,9-10,12H2,1-4H3
InChIKeyDPNKFEJGTZVFPI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.26
Rot. Bonds6

About [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 110441411) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID110441411
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O3/c1-5-18(6-2)14-9-10-19(12-14)17(20)13-7-8-15(21-3)16(11-13)22-4/h7-8,11,14H,5-6,9-10,12H2,1-4H3
InChIKeyDPNKFEJGTZVFPI-UHFFFAOYSA-N
XLogP2.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone (CID 110441411) is [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone is CCN(CC)C1CCN(C(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is DPNKFEJGTZVFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-18(6-2)14-9-10-19(12-14)17(20)13-7-8-15(21-3)16(11-13)22-4/h7-8,11,14H,5-6,9-10,12H2,1-4H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 306.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 110441411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).