N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide

C20H17NO5 — CID 90580765

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCC(O)c1ccc2c(c1)CCO2)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17NO5/c22-15-10-19(26-18-4-2-1-3-14(15)18)20(24)21-11-16(23)12-5-6-17-13(9-12)7-8-25-17/h1-6,9-10,16,23H,7-8,11H2,(H,21,24)
InChIKeyQJCNPVRMWMOJJT-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide (PubChem CID 90580765) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide
PubChem CID90580765
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCC(O)c1ccc2c(c1)CCO2)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17NO5/c22-15-10-19(26-18-4-2-1-3-14(15)18)20(24)21-11-16(23)12-5-6-17-13(9-12)7-8-25-17/h1-6,9-10,16,23H,7-8,11H2,(H,21,24)
InChIKeyQJCNPVRMWMOJJT-UHFFFAOYSA-N
XLogP2.19
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 90580796
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 90580695
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
CID 90580722
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
2-benzylsulfanyl-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]acetamide
CID 97042474
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71803428
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
CID 121132014
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97042451
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90580935
5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 97042443

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide (CID 90580765) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide is O=C(NCC(O)c1ccc2c(c1)CCO2)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide?
The InChIKey is QJCNPVRMWMOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c22-15-10-19(26-18-4-2-1-3-14(15)18)20(24)21-11-16(23)12-5-6-17-13(9-12)7-8-25-17/h1-6,9-10,16,23H,7-8,11H2,(H,21,24).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 90580765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).