(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide

C19H19N3O3 — CID 41387391

IUPAC(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
SMILESCCNC(=O)N1c2ccccc2CO[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H19N3O3/c1-3-20-18(24)22-15-10-6-4-8-13(15)12-25-19(22)14-9-5-7-11-16(14)21(2)17(19)23/h4-11H,3,12H2,1-2H3,(H,20,24)/t19-/m1/s1
InChIKeyUMDVWXHTVTXKLD-LJQANCHMSA-N
MW337.38 g/mol
LogP2.58
Rot. Bonds1

About (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide

(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide (PubChem CID 41387391) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
PubChem CID41387391
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
SMILESCCNC(=O)N1c2ccccc2CO[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H19N3O3/c1-3-20-18(24)22-15-10-6-4-8-13(15)12-25-19(22)14-9-5-7-11-16(14)21(2)17(19)23/h4-11H,3,12H2,1-2H3,(H,20,24)/t19-/m1/s1
InChIKeyUMDVWXHTVTXKLD-LJQANCHMSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387372
N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
CID 16584756
1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584750
1'-methyl-1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 135616375
(2S)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387422
(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387421
(2R)-1'-propyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387437
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
1'-ethyl-1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584773
(2S)-1'-ethyl-1-[(E)-3-(furan-2-yl)prop-2-enoyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387424
1-(2-fluorobenzoyl)-1'-prop-2-enylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584781

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
The IUPAC name of (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide (CID 41387391) is (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
The canonical SMILES for (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide is CCNC(=O)N1c2ccccc2CO[C@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
The InChIKey is UMDVWXHTVTXKLD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-20-18(24)22-15-10-6-4-8-13(15)12-25-19(22)14-9-5-7-11-16(14)21(2)17(19)23/h4-11H,3,12H2,1-2H3,(H,20,24)/t19-/m1/s1.
What are the key properties of (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide?
(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide is sourced from PubChem (CID 41387391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).