2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide

C20H29NO5 — CID 91793943

IUPAC2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c(OC)c1
InChIInChI=1S/C20H29NO5/c1-14(2)7-10-26-18-8-9-25-13-17(18)21-20(22)11-15-5-6-16(23-3)12-19(15)24-4/h5-7,12,17-18H,8-11,13H2,1-4H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyJATIZMVCXYWOTL-MSOLQXFVSA-N
MW363.45 g/mol
LogP2.50
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide

2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide (PubChem CID 91793943) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
PubChem CID91793943
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c(OC)c1
InChIInChI=1S/C20H29NO5/c1-14(2)7-10-26-18-8-9-25-13-17(18)21-20(22)11-15-5-6-16(23-3)12-19(15)24-4/h5-7,12,17-18H,8-11,13H2,1-4H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyJATIZMVCXYWOTL-MSOLQXFVSA-N
XLogP2.50
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide (CID 91793943) is 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide is COc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The InChIKey is JATIZMVCXYWOTL-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H29NO5/c1-14(2)7-10-26-18-8-9-25-13-17(18)21-20(22)11-15-5-6-16(23-3)12-19(15)24-4/h5-7,12,17-18H,8-11,13H2,1-4H3,(H,21,22)/t17-,18+/m1/s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 91793943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).