N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C22H24N2O3 — CID 42796302

IUPACN-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(C)N(Cc1cc2ccccc2n1C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H24N2O3/c1-15(2)24(14-18-12-16-6-4-5-7-19(16)23(18)3)22(25)17-8-9-20-21(13-17)27-11-10-26-20/h4-9,12-13,15H,10-11,14H2,1-3H3
InChIKeyLSNFDGVVIZVLGX-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.00
Rot. Bonds4

About N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 42796302) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID42796302
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(C)N(Cc1cc2ccccc2n1C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H24N2O3/c1-15(2)24(14-18-12-16-6-4-5-7-19(16)23(18)3)22(25)17-8-9-20-21(13-17)27-11-10-26-20/h4-9,12-13,15H,10-11,14H2,1-3H3
InChIKeyLSNFDGVVIZVLGX-UHFFFAOYSA-N
XLogP4.00
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 3651901
N-[(1-methylindol-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 42796301
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 42767770
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 121451464
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368
N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51113425
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
N-[[2-benzylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 42824361
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 51123814

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 42796302) is N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC(C)N(Cc1cc2ccccc2n1C)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is LSNFDGVVIZVLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15(2)24(14-18-12-16-6-4-5-7-19(16)23(18)3)22(25)17-8-9-20-21(13-17)27-11-10-26-20/h4-9,12-13,15H,10-11,14H2,1-3H3.
What are the key properties of N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 42796302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).