2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide

C17H26N2O4 — CID 120943522

IUPAC2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCC2CNCC2O)cc1OC
InChIInChI=1S/C17H26N2O4/c1-17(2,12-5-6-14(22-3)15(7-12)23-4)16(21)19-9-11-8-18-10-13(11)20/h5-7,11,13,18,20H,8-10H2,1-4H3,(H,19,21)
InChIKeyUDFQBYZRTYUPTP-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.68
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide

2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide (PubChem CID 120943522) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
PubChem CID120943522
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCC2CNCC2O)cc1OC
InChIInChI=1S/C17H26N2O4/c1-17(2,12-5-6-14(22-3)15(7-12)23-4)16(21)19-9-11-8-18-10-13(11)20/h5-7,11,13,18,20H,8-10H2,1-4H3,(H,19,21)
InChIKeyUDFQBYZRTYUPTP-UHFFFAOYSA-N
XLogP0.68
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 120947292
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391625
2-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120832492
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
CID 120944272
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
2-(3,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 71920570
3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943968
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119475522

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide (CID 120943522) is 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)NCC2CNCC2O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
The InChIKey is UDFQBYZRTYUPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,12-5-6-14(22-3)15(7-12)23-4)16(21)19-9-11-8-18-10-13(11)20/h5-7,11,13,18,20H,8-10H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 120943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).