2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide

C21H31NO5 — CID 133265711

IUPAC2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide
SMILESCOc1ccccc1OC(C)(C)C(=O)N[C@@H]1CCOC[C@@H]1C1CCOCC1
InChIInChI=1S/C21H31NO5/c1-21(2,27-19-7-5-4-6-18(19)24-3)20(23)22-17-10-13-26-14-16(17)15-8-11-25-12-9-15/h4-7,15-17H,8-14H2,1-3H3,(H,22,23)/t16-,17-/m1/s1
InChIKeyMJCYVFSEECKJPA-IAGOWNOFSA-N
MW377.48 g/mol
LogP2.80
Rot. Bonds6

About 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide

2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide (PubChem CID 133265711) has the molecular formula C21H31NO5 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide
PubChem CID133265711
Molecular FormulaC21H31NO5
Molecular Weight377.48 g/mol
Exact Mass377.22
IUPAC Name2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide
SMILESCOc1ccccc1OC(C)(C)C(=O)N[C@@H]1CCOC[C@@H]1C1CCOCC1
InChIInChI=1S/C21H31NO5/c1-21(2,27-19-7-5-4-6-18(19)24-3)20(23)22-17-10-13-26-14-16(17)15-8-11-25-12-9-15/h4-7,15-17H,8-14H2,1-3H3,(H,22,23)/t16-,17-/m1/s1
InChIKeyMJCYVFSEECKJPA-IAGOWNOFSA-N
XLogP2.80
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide (CID 133265711) is 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide is COc1ccccc1OC(C)(C)C(=O)N[C@@H]1CCOC[C@@H]1C1CCOCC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide?
The InChIKey is MJCYVFSEECKJPA-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H31NO5/c1-21(2,27-19-7-5-4-6-18(19)24-3)20(23)22-17-10-13-26-14-16(17)15-8-11-25-12-9-15/h4-7,15-17H,8-14H2,1-3H3,(H,22,23)/t16-,17-/m1/s1.
What are the key properties of 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide?
2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide has a molecular weight of 377.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide is sourced from PubChem (CID 133265711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).