4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O5 — CID 119691567

IUPAC4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)C2CC(O)CN2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O5.ClH/c1-20-12-4-9(5-13(21-2)14(12)22-3)7-17-15(19)11-6-10(18)8-16-11;/h4-5,10-11,16,18H,6-8H2,1-3H3,(H,17,19);1H
InChIKeyBONNHWOUSFAJFW-UHFFFAOYSA-N
MW346.81 g/mol
LogP0.47
Rot. Bonds6

About 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119691567) has the molecular formula C15H23ClN2O5 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119691567
Molecular FormulaC15H23ClN2O5
Molecular Weight346.81 g/mol
Exact Mass346.13
IUPAC Name4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)C2CC(O)CN2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O5.ClH/c1-20-12-4-9(5-13(21-2)14(12)22-3)7-17-15(19)11-6-10(18)8-16-11;/h4-5,10-11,16,18H,6-8H2,1-3H3,(H,17,19);1H
InChIKeyBONNHWOUSFAJFW-UHFFFAOYSA-N
XLogP0.47
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
methyl 4-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274532
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119691567) is 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is COc1cc(CNC(=O)C2CC(O)CN2)cc(OC)c1OC.Cl.
What is the InChIKey of 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BONNHWOUSFAJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5.ClH/c1-20-12-4-9(5-13(21-2)14(12)22-3)7-17-15(19)11-6-10(18)8-16-11;/h4-5,10-11,16,18H,6-8H2,1-3H3,(H,17,19);1H.
What are the key properties of 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 346.81 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119691567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).