N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

C19H23NO3 — CID 95225190

IUPACN-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C19H23NO3/c21-19(18-11-15-7-1-2-9-17(15)23-18)20(12-14-5-3-6-14)13-16-8-4-10-22-16/h1-2,7,9,11,14,16H,3-6,8,10,12-13H2/t16-/m1/s1
InChIKeyZHWRTRUBKKGOBB-MRXNPFEDSA-N
MW313.40 g/mol
LogP3.85
Rot. Bonds5

About N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 95225190) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID95225190
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C19H23NO3/c21-19(18-11-15-7-1-2-9-17(15)23-18)20(12-14-5-3-6-14)13-16-8-4-10-22-16/h1-2,7,9,11,14,16H,3-6,8,10,12-13H2/t16-/m1/s1
InChIKeyZHWRTRUBKKGOBB-MRXNPFEDSA-N
XLogP3.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 113330085
N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 6557652
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131933924
2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96571936
N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3221325
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 94221459
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
1-(1-benzofuran-2-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495123
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718542
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718515

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 95225190) is N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is O=C(c1cc2ccccc2o1)N(CC1CCC1)C[C@H]1CCCO1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZHWRTRUBKKGOBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO3/c21-19(18-11-15-7-1-2-9-17(15)23-18)20(12-14-5-3-6-14)13-16-8-4-10-22-16/h1-2,7,9,11,14,16H,3-6,8,10,12-13H2/t16-/m1/s1.
What are the key properties of N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95225190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).