N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide

C18H23NO3 — CID 95783333

IUPACN-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCO[C@@]1(C)C[C@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C
InChIInChI=1S/C18H23NO3/c1-17(2)15(11-18(17,3)21-5)19(4)16(20)14-10-12-8-6-7-9-13(12)22-14/h6-10,15H,11H2,1-5H3/t15-,18-/m0/s1
InChIKeyMEAWEWPLQRSVCF-YJBOKZPZSA-N
MW301.39 g/mol
LogP3.71
Rot. Bonds3

About N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide

N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 95783333) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID95783333
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCO[C@@]1(C)C[C@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C
InChIInChI=1S/C18H23NO3/c1-17(2)15(11-18(17,3)21-5)19(4)16(20)14-10-12-8-6-7-9-13(12)22-14/h6-10,15H,11H2,1-5H3/t15-,18-/m0/s1
InChIKeyMEAWEWPLQRSVCF-YJBOKZPZSA-N
XLogP3.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide (CID 95783333) is N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide is CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MEAWEWPLQRSVCF-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H23NO3/c1-17(2)15(11-18(17,3)21-5)19(4)16(20)14-10-12-8-6-7-9-13(12)22-14/h6-10,15H,11H2,1-5H3/t15-,18-/m0/s1.
What are the key properties of N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95783333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).