ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate

C16H20N2O4 — CID 35439173

IUPACethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)N[C@H](C)COC)ccc2[nH]1
InChIInChI=1S/C16H20N2O4/c1-4-22-16(20)14-8-12-7-11(5-6-13(12)18-14)15(19)17-10(2)9-21-3/h5-8,10,18H,4,9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyYDCRHPFSYPSNAT-SNVBAGLBSA-N
MW304.35 g/mol
LogP2.11
Rot. Bonds6

About ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate

ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate (PubChem CID 35439173) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate
PubChem CID35439173
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)N[C@H](C)COC)ccc2[nH]1
InChIInChI=1S/C16H20N2O4/c1-4-22-16(20)14-8-12-7-11(5-6-13(12)18-14)15(19)17-10(2)9-21-3/h5-8,10,18H,4,9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyYDCRHPFSYPSNAT-SNVBAGLBSA-N
XLogP2.11
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate
CID 112833767
N-(1-methoxypropan-2-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2823670
N-[(2S)-1-methoxypropan-2-yl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 6934364
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
CID 31853659

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate (CID 35439173) is ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(C(=O)N[C@H](C)COC)ccc2[nH]1.
What is the InChIKey of ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate?
The InChIKey is YDCRHPFSYPSNAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-22-16(20)14-8-12-7-11(5-6-13(12)18-14)15(19)17-10(2)9-21-3/h5-8,10,18H,4,9H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate?
ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 35439173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).