3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide

C19H30N2O4 — CID 110402980

IUPAC3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
SMILESCOc1cc(C(=O)NCC(C(C)C)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-13(2)15(21-8-6-7-9-21)12-20-19(22)14-10-16(23-3)18(25-5)17(11-14)24-4/h10-11,13,15H,6-9,12H2,1-5H3,(H,20,22)
InChIKeyWHYLTQGXJMIICE-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.56
Rot. Bonds8

About 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide

3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide (PubChem CID 110402980) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
PubChem CID110402980
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
SMILESCOc1cc(C(=O)NCC(C(C)C)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-13(2)15(21-8-6-7-9-21)12-20-19(22)14-10-16(23-3)18(25-5)17(11-14)24-4/h10-11,13,15H,6-9,12H2,1-5H3,(H,20,22)
InChIKeyWHYLTQGXJMIICE-UHFFFAOYSA-N
XLogP2.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35341953
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,4,5-trimethoxybenzamide
CID 7496210
4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
CID 122145119
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502348
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide (CID 110402980) is 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide is COc1cc(C(=O)NCC(C(C)C)N2CCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
The InChIKey is WHYLTQGXJMIICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13(2)15(21-8-6-7-9-21)12-20-19(22)14-10-16(23-3)18(25-5)17(11-14)24-4/h10-11,13,15H,6-9,12H2,1-5H3,(H,20,22).
What are the key properties of 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide?
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide is sourced from PubChem (CID 110402980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).