N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide

C16H24N2O4 — CID 119553626

IUPACN-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(C)C2CCNC2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-18(12-5-6-17-10-12)15(19)9-11-7-13(20-2)16(22-4)14(8-11)21-3/h7-8,12,17H,5-6,9-10H2,1-4H3
InChIKeyYIJMLDQQBTYXGT-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.08
Rot. Bonds6

About N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide

N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 119553626) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID119553626
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(C)C2CCNC2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-18(12-5-6-17-10-12)15(19)9-11-7-13(20-2)16(22-4)14(8-11)21-3/h7-8,12,17H,5-6,9-10H2,1-4H3
InChIKeyYIJMLDQQBTYXGT-UHFFFAOYSA-N
XLogP1.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119443754
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119554637
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119537060

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 119553626) is N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N(C)C2CCNC2)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is YIJMLDQQBTYXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-18(12-5-6-17-10-12)15(19)9-11-7-13(20-2)16(22-4)14(8-11)21-3/h7-8,12,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 119553626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).