4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide

C15H22N2O2 — CID 115271837

IUPAC4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCNC2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-10-11(2)14(19-3)5-4-13(10)15(18)17-9-12-6-7-16-8-12/h4-5,12,16H,6-9H2,1-3H3,(H,17,18)
InChIKeyACLCTZNIGAYOTA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.65
Rot. Bonds4

About 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide

4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 115271837) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID115271837
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCNC2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-10-11(2)14(19-3)5-4-13(10)15(18)17-9-12-6-7-16-8-12/h4-5,12,16H,6-9H2,1-3H3,(H,17,18)
InChIKeyACLCTZNIGAYOTA-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
2-methoxy-5-methyl-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63009230
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide (CID 115271837) is 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide is COc1ccc(C(=O)NCC2CCNC2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is ACLCTZNIGAYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-11(2)14(19-3)5-4-13(10)15(18)17-9-12-6-7-16-8-12/h4-5,12,16H,6-9H2,1-3H3,(H,17,18).
What are the key properties of 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 115271837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).