(2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide

C18H27NO3 — CID 97339819

IUPAC(2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](CCO)C(C)(C)C)C2
InChIInChI=1S/C18H27NO3/c1-11-8-13-10-15(22-14(13)9-12(11)2)17(21)19-16(6-7-20)18(3,4)5/h8-9,15-16,20H,6-7,10H2,1-5H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyDWDDUDQGZYNCHE-HZPDHXFCSA-N
MW305.42 g/mol
LogP2.52
Rot. Bonds4

About (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 97339819) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID97339819
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](CCO)C(C)(C)C)C2
InChIInChI=1S/C18H27NO3/c1-11-8-13-10-15(22-14(13)9-12(11)2)17(21)19-16(6-7-20)18(3,4)5/h8-9,15-16,20H,6-7,10H2,1-5H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyDWDDUDQGZYNCHE-HZPDHXFCSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 97339819) is (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](CCO)C(C)(C)C)C2.
What is the InChIKey of (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DWDDUDQGZYNCHE-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27NO3/c1-11-8-13-10-15(22-14(13)9-12(11)2)17(21)19-16(6-7-20)18(3,4)5/h8-9,15-16,20H,6-7,10H2,1-5H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97339819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).