N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

C19H30ClN3O5 — CID 120650496

IUPACN-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl
InChIInChI=1S/C19H29N3O5.ClH/c1-6-20-12(2)10-21-19(24)13-7-17(23)22(11-13)14-8-15(25-3)18(27-5)16(9-14)26-4;/h8-9,12-13,20H,6-7,10-11H2,1-5H3,(H,21,24);1H/t12-,13?;/m1./s1
InChIKeyBXWHWFMFMPJETB-QPWPOBFOSA-N
MW415.92 g/mol
LogP1.60
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120650496) has the molecular formula C19H30ClN3O5 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120650496
Molecular FormulaC19H30ClN3O5
Molecular Weight415.92 g/mol
Exact Mass415.19
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl
InChIInChI=1S/C19H29N3O5.ClH/c1-6-20-12(2)10-21-19(24)13-7-17(23)22(11-13)14-8-15(25-3)18(27-5)16(9-14)26-4;/h8-9,12-13,20H,6-7,10-11H2,1-5H3,(H,21,24);1H/t12-,13?;/m1./s1
InChIKeyBXWHWFMFMPJETB-QPWPOBFOSA-N
XLogP1.60
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 124679906
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120947786
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120650496) is N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BXWHWFMFMPJETB-QPWPOBFOSA-N. The full InChI is InChI=1S/C19H29N3O5.ClH/c1-6-20-12(2)10-21-19(24)13-7-17(23)22(11-13)14-8-15(25-3)18(27-5)16(9-14)26-4;/h8-9,12-13,20H,6-7,10-11H2,1-5H3,(H,21,24);1H/t12-,13?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120650496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).