2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide

C23H30N2O4 — CID 71124980

IUPAC2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(O)c(C(=O)N[C@@H]2CCN(C(C)c3ccc(OC)c(C)c3C)C2)c1
InChIInChI=1S/C23H30N2O4/c1-14-15(2)22(29-5)9-7-19(14)16(3)25-11-10-17(13-25)24-23(27)20-12-18(28-4)6-8-21(20)26/h6-9,12,16-17,26H,10-11,13H2,1-5H3,(H,24,27)/t16?,17-/m1/s1
InChIKeyMZOOBYBTTHTSLM-ZYMOGRSISA-N
MW398.50 g/mol
LogP3.59
Rot. Bonds6

About 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide

2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 71124980) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID71124980
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(O)c(C(=O)N[C@@H]2CCN(C(C)c3ccc(OC)c(C)c3C)C2)c1
InChIInChI=1S/C23H30N2O4/c1-14-15(2)22(29-5)9-7-19(14)16(3)25-11-10-17(13-25)24-23(27)20-12-18(28-4)6-8-21(20)26/h6-9,12,16-17,26H,10-11,13H2,1-5H3,(H,24,27)/t16?,17-/m1/s1
InChIKeyMZOOBYBTTHTSLM-ZYMOGRSISA-N
XLogP3.59
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
CID 71124578
N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 71124574
3-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]-5-(4-morpholin-4-ylbutoxy)benzamide
CID 71124727
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
CID 63626426
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
2-hydroxy-5-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64668039
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
1-[1-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066170
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
CID 60975569

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide (CID 71124980) is 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide is COc1ccc(O)c(C(=O)N[C@@H]2CCN(C(C)c3ccc(OC)c(C)c3C)C2)c1.
What is the InChIKey of 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is MZOOBYBTTHTSLM-ZYMOGRSISA-N. The full InChI is InChI=1S/C23H30N2O4/c1-14-15(2)22(29-5)9-7-19(14)16(3)25-11-10-17(13-25)24-23(27)20-12-18(28-4)6-8-21(20)26/h6-9,12,16-17,26H,10-11,13H2,1-5H3,(H,24,27)/t16?,17-/m1/s1.
What are the key properties of 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide?
2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71124980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).