N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide

C17H26N2O4 — CID 72905576

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C[C@@H](C)[C@@](C)(O)C2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-12-9-19(11-17(12,2)21)10-16(20)18-8-13-5-6-14(22-3)15(7-13)23-4/h5-7,12,21H,8-11H2,1-4H3,(H,18,20)/t12-,17+/m1/s1
InChIKeyUADNSRNJXMKVCH-PXAZEXFGSA-N
MW322.41 g/mol
LogP1.02
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide (PubChem CID 72905576) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
PubChem CID72905576
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C[C@@H](C)[C@@](C)(O)C2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-12-9-19(11-17(12,2)21)10-16(20)18-8-13-5-6-14(22-3)15(7-13)23-4/h5-7,12,21H,8-11H2,1-4H3,(H,18,20)/t12-,17+/m1/s1
InChIKeyUADNSRNJXMKVCH-PXAZEXFGSA-N
XLogP1.02
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide (CID 72905576) is N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide is COc1ccc(CNC(=O)CN2C[C@@H](C)[C@@](C)(O)C2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide?
The InChIKey is UADNSRNJXMKVCH-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12-9-19(11-17(12,2)21)10-16(20)18-8-13-5-6-14(22-3)15(7-13)23-4/h5-7,12,21H,8-11H2,1-4H3,(H,18,20)/t12-,17+/m1/s1.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 72905576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).