N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride

C17H27ClN2O4 — CID 119554637

IUPACN-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)N(C)C2CCNC2)c(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(13-9-10-18-11-13)15(20)8-6-12-5-7-14(21-2)17(23-4)16(12)22-3;/h5,7,13,18H,6,8-11H2,1-4H3;1H
InChIKeyAJBDKDSHSNCGPE-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.89
Rot. Bonds7

About N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride

N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119554637) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID119554637
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)N(C)C2CCNC2)c(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(13-9-10-18-11-13)15(20)8-6-12-5-7-14(21-2)17(23-4)16(12)22-3;/h5,7,13,18H,6,8-11H2,1-4H3;1H
InChIKeyAJBDKDSHSNCGPE-UHFFFAOYSA-N
XLogP1.89
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626
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
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119443754
3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119444531
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553266
N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119553445

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (CID 119554637) is N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(=O)N(C)C2CCNC2)c(OC)c1OC.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is AJBDKDSHSNCGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-19(13-9-10-18-11-13)15(20)8-6-12-5-7-14(21-2)17(23-4)16(12)22-3;/h5,7,13,18H,6,8-11H2,1-4H3;1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.89, 7 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-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119554637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).