(3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide

C18H26N2O3 — CID 124885777

IUPAC(3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CCOC1)c1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)20(18(22)15-9-10-23-12-15)16-7-5-14(6-8-16)11-17(21)19(3)4/h5-8,13,15H,9-12H2,1-4H3/t15-/m1/s1
InChIKeyIRMLHWGVEKOUOB-OAHLLOKOSA-N
MW318.42 g/mol
LogP2.10
Rot. Bonds5

About (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide

(3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide (PubChem CID 124885777) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide
PubChem CID124885777
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CCOC1)c1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)20(18(22)15-9-10-23-12-15)16-7-5-14(6-8-16)11-17(21)19(3)4/h5-8,13,15H,9-12H2,1-4H3/t15-/m1/s1
InChIKeyIRMLHWGVEKOUOB-OAHLLOKOSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide (CID 124885777) is (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide is CC(C)N(C(=O)[C@@H]1CCOC1)c1ccc(CC(=O)N(C)C)cc1.
What is the InChIKey of (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is IRMLHWGVEKOUOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)20(18(22)15-9-10-23-12-15)16-7-5-14(6-8-16)11-17(21)19(3)4/h5-8,13,15H,9-12H2,1-4H3/t15-/m1/s1.
What are the key properties of (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide?
(3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 124885777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).