(2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

C18H18N2O3 — CID 131987177

IUPAC(2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c1O[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-10-15(11-6-4-3-5-7-11)13-8-12(17(19)21)9-14(16(13)23-10)18(22)20-2/h3-10,15H,1-2H3,(H2,19,21)(H,20,22)/t10-,15+/m1/s1
InChIKeyOMQTZUXVKUMSEE-BMIGLBTASA-N
MW310.35 g/mol
LogP2.06
Rot. Bonds3

About (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

(2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 131987177) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name(2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID131987177
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c1O[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-10-15(11-6-4-3-5-7-11)13-8-12(17(19)21)9-14(16(13)23-10)18(22)20-2/h3-10,15H,1-2H3,(H2,19,21)(H,20,22)/t10-,15+/m1/s1
InChIKeyOMQTZUXVKUMSEE-BMIGLBTASA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 131987177) is (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(N)=O)cc2c1O[C@H](C)[C@H]2c1ccccc1.
What is the InChIKey of (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is OMQTZUXVKUMSEE-BMIGLBTASA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-15(11-6-4-3-5-7-11)13-8-12(17(19)21)9-14(16(13)23-10)18(22)20-2/h3-10,15H,1-2H3,(H2,19,21)(H,20,22)/t10-,15+/m1/s1.
What are the key properties of (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
(2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 131987177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).