(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide

C18H22N2O4 — CID 39514039

IUPAC(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1O[C@@H](C(=O)NCCN2CCCCCC2=O)Cc2ccccc21
InChIInChI=1S/C18H22N2O4/c21-16-8-2-1-5-10-20(16)11-9-19-17(22)15-12-13-6-3-4-7-14(13)18(23)24-15/h3-4,6-7,15H,1-2,5,8-12H2,(H,19,22)/t15-/m1/s1
InChIKeySRACDTSPKOGXQA-OAHLLOKOSA-N
MW330.38 g/mol
LogP1.29
Rot. Bonds4

About (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide

(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide (PubChem CID 39514039) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
PubChem CID39514039
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1O[C@@H](C(=O)NCCN2CCCCCC2=O)Cc2ccccc21
InChIInChI=1S/C18H22N2O4/c21-16-8-2-1-5-10-20(16)11-9-19-17(22)15-12-13-6-3-4-7-14(13)18(23)24-15/h3-4,6-7,15H,1-2,5,8-12H2,(H,19,22)/t15-/m1/s1
InChIKeySRACDTSPKOGXQA-OAHLLOKOSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 51079964
N-(2-methyl-2-piperidin-1-ylpropyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175479
(3S)-N-[2-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117473
(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
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(3S)-N-[3-(benzimidazol-1-yl)propyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94491723
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 94002234
2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 71896096
N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52989414
N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51084945
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740

Frequently Asked Questions

What is the IUPAC name of (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide (CID 39514039) is (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide is O=C1O[C@@H](C(=O)NCCN2CCCCCC2=O)Cc2ccccc21.
What is the InChIKey of (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is SRACDTSPKOGXQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16-8-2-1-5-10-20(16)11-9-19-17(22)15-12-13-6-3-4-7-14(13)18(23)24-15/h3-4,6-7,15H,1-2,5,8-12H2,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide?
(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 39514039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).