(3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide

C16H23NO3 — CID 97244220

IUPAC(3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide
SMILESCC(C)Oc1cccc(CN(C)C(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)20-15-6-4-5-13(9-15)10-17(3)16(18)14-7-8-19-11-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyXIEZQCVGYJFDEV-CQSZACIVSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds5

About (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide

(3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide (PubChem CID 97244220) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide
PubChem CID97244220
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide
SMILESCC(C)Oc1cccc(CN(C)C(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)20-15-6-4-5-13(9-15)10-17(3)16(18)14-7-8-19-11-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyXIEZQCVGYJFDEV-CQSZACIVSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide (CID 97244220) is (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide is CC(C)Oc1cccc(CN(C)C(=O)[C@@H]2CCOC2)c1.
What is the InChIKey of (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is XIEZQCVGYJFDEV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)20-15-6-4-5-13(9-15)10-17(3)16(18)14-7-8-19-11-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide?
(3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 97244220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).