(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide

C19H18N2O4 — CID 92710254

IUPAC(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O4/c1-12(22)21-15-5-3-2-4-13(15)10-16(21)19(23)20-14-6-7-17-18(11-14)25-9-8-24-17/h2-7,11,16H,8-10H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBHACOYVDPBPIPV-MRXNPFEDSA-N
MW338.36 g/mol
LogP2.37
Rot. Bonds2

About (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide

(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide (PubChem CID 92710254) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
PubChem CID92710254
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O4/c1-12(22)21-15-5-3-2-4-13(15)10-16(21)19(23)20-14-6-7-17-18(11-14)25-9-8-24-17/h2-7,11,16H,8-10H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBHACOYVDPBPIPV-MRXNPFEDSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
2-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 22581828
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970024
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41429186
(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 75376328
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
(3S)-N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2604016
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide (CID 92710254) is (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is BHACOYVDPBPIPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(22)21-15-5-3-2-4-13(15)10-16(21)19(23)20-14-6-7-17-18(11-14)25-9-8-24-17/h2-7,11,16H,8-10H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide?
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92710254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).