N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide

C20H29NO4 — CID 164635535

IUPACN-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)CO2)c(C)c1
InChIInChI=1S/C20H29NO4/c1-15-11-17(23-2)4-3-16(15)12-19(22)21-13-18-5-6-20(14-25-18)7-9-24-10-8-20/h3-4,11,18H,5-10,12-14H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyGHEQZIWGZGHYLK-GOSISDBHSA-N
MW347.45 g/mol
LogP2.64
Rot. Bonds5

About N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide

N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 164635535) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide
PubChem CID164635535
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC NameN-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)CO2)c(C)c1
InChIInChI=1S/C20H29NO4/c1-15-11-17(23-2)4-3-16(15)12-19(22)21-13-18-5-6-20(14-25-18)7-9-24-10-8-20/h3-4,11,18H,5-10,12-14H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyGHEQZIWGZGHYLK-GOSISDBHSA-N
XLogP2.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide with MolForge

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
CID 136559330
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide
CID 75433024
4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120690089
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
methyl 1-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]cyclooctane-1-carboxylate
CID 54486368
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
4-bromo-N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167804602
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
CID 70239669

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide (CID 164635535) is N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)CO2)c(C)c1.
What is the InChIKey of N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is GHEQZIWGZGHYLK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15-11-17(23-2)4-3-16(15)12-19(22)21-13-18-5-6-20(14-25-18)7-9-24-10-8-20/h3-4,11,18H,5-10,12-14H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide?
N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 347.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 164635535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).