(3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

C22H19NO4 — CID 41259438

IUPAC(3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccco1
InChIInChI=1S/C22H19NO4/c1-14(19-8-5-11-26-19)23-21(24)16-9-10-18-17(12-16)13-20(27-22(18)25)15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3,(H,23,24)/t14-,20+/m0/s1
InChIKeyAFGUOSMULMIEOW-VBKZILBWSA-N
MW361.40 g/mol
LogP4.22
Rot. Bonds4

About (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

(3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (PubChem CID 41259438) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
PubChem CID41259438
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccco1
InChIInChI=1S/C22H19NO4/c1-14(19-8-5-11-26-19)23-21(24)16-9-10-18-17(12-16)13-20(27-22(18)25)15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3,(H,23,24)/t14-,20+/m0/s1
InChIKeyAFGUOSMULMIEOW-VBKZILBWSA-N
XLogP4.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide with MolForge

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Related Compounds

(3R)-1-oxo-3-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydroisochromene-6-carboxamide
CID 25382186
(3R)-1-oxo-3-phenyl-N-(2-propan-2-ylpyrazol-3-yl)-3,4-dihydroisochromene-6-carboxamide
CID 30187101
N-ethoxy-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18169127
(3R)-N-(4-hydroxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 97315472
(3S)-N-(furan-2-ylmethyl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8852042
N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 75440148
N-[3-(methylcarbamoyl)phenyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18208642
(3R)-1-oxo-3-phenyl-N-(3-phenylsulfanylpropyl)-3,4-dihydroisochromene-6-carboxamide
CID 8012766
(3R)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 97004856
(3S)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 25396823
1-oxo-3-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide
CID 4974011
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860434

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (CID 41259438) is (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccco1.
What is the InChIKey of (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is AFGUOSMULMIEOW-VBKZILBWSA-N. The full InChI is InChI=1S/C22H19NO4/c1-14(19-8-5-11-26-19)23-21(24)16-9-10-18-17(12-16)13-20(27-22(18)25)15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3,(H,23,24)/t14-,20+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
(3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(furan-2-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 41259438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).