3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

C14H20N2O3 — CID 60805831

IUPAC3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C14H20N2O3/c1-16(11-4-5-15-9-11)14(17)10-6-12(18-2)8-13(7-10)19-3/h6-8,11,15H,4-5,9H2,1-3H3
InChIKeyOUCRQIKWCGSGAH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds4

About 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 60805831) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID60805831
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C14H20N2O3/c1-16(11-4-5-15-9-11)14(17)10-6-12(18-2)8-13(7-10)19-3/h6-8,11,15H,4-5,9H2,1-3H3
InChIKeyOUCRQIKWCGSGAH-UHFFFAOYSA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-methylbenzamide
CID 7259614
3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551020

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 60805831) is 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is COc1cc(OC)cc(C(=O)N(C)C2CCNC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is OUCRQIKWCGSGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(11-4-5-15-9-11)14(17)10-6-12(18-2)8-13(7-10)19-3/h6-8,11,15H,4-5,9H2,1-3H3.
What are the key properties of 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60805831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).