2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide

C20H25NO4 — CID 91776897

IUPAC2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)N[C@H]3CCOC[C@H]3C3CCOCC3)c2o1
InChIInChI=1S/C20H25NO4/c1-13-11-15-3-2-4-16(19(15)25-13)20(22)21-18-7-10-24-12-17(18)14-5-8-23-9-6-14/h2-4,11,14,17-18H,5-10,12H2,1H3,(H,21,22)/t17-,18-/m0/s1
InChIKeyJZXKDEWEQWIPHQ-ROUUACIJSA-N
MW343.42 g/mol
LogP3.30
Rot. Bonds3

About 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide

2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide (PubChem CID 91776897) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
PubChem CID91776897
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)N[C@H]3CCOC[C@H]3C3CCOCC3)c2o1
InChIInChI=1S/C20H25NO4/c1-13-11-15-3-2-4-16(19(15)25-13)20(22)21-18-7-10-24-12-17(18)14-5-8-23-9-6-14/h2-4,11,14,17-18H,5-10,12H2,1H3,(H,21,22)/t17-,18-/m0/s1
InChIKeyJZXKDEWEQWIPHQ-ROUUACIJSA-N
XLogP3.30
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
CID 91761769
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 133265512
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 91798169
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91794863
2-butoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91774099
2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
CID 91795988
3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 133265575
7-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91781697
2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide
CID 74238215
5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
CID 133266154
2-(2-chlorophenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
CID 133265749
5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 133265741

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide (CID 91776897) is 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)N[C@H]3CCOC[C@H]3C3CCOCC3)c2o1.
What is the InChIKey of 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide?
The InChIKey is JZXKDEWEQWIPHQ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-11-15-3-2-4-16(19(15)25-13)20(22)21-18-7-10-24-12-17(18)14-5-8-23-9-6-14/h2-4,11,14,17-18H,5-10,12H2,1H3,(H,21,22)/t17-,18-/m0/s1.
What are the key properties of 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide?
2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 91776897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).