ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate

C14H20N2O3 — CID 110459309

IUPACethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CC)[nH]c2c1CCCC2
InChIInChI=1S/C14H20N2O3/c1-3-11(17)16-13-12(14(18)19-4-2)9-7-5-6-8-10(9)15-13/h15H,3-8H2,1-2H3,(H,16,17)
InChIKeyAXMDNPPBLCXCNH-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.42
Rot. Bonds4

About ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate

ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate (PubChem CID 110459309) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
PubChem CID110459309
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CC)[nH]c2c1CCCC2
InChIInChI=1S/C14H20N2O3/c1-3-11(17)16-13-12(14(18)19-4-2)9-7-5-6-8-10(9)15-13/h15H,3-8H2,1-2H3,(H,16,17)
InChIKeyAXMDNPPBLCXCNH-UHFFFAOYSA-N
XLogP2.42
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 2830694
methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
CID 83878869
ethyl 2-oxo-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 11065651
methyl 2-(methoxymethyl)-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate
CID 11736534
ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 4216825
ethyl 3-formyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 10774696
ethyl 2-(3-chloropropanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 4160014
ethyl 2-(3-oxobutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 15483436
ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate
CID 10729473
ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
CID 7116138
ethyl 2-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 720189
ethyl 1,3-dimethyl-2-oxido-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carboxylate
CID 134841692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate (CID 110459309) is ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate is CCOC(=O)c1c(NC(=O)CC)[nH]c2c1CCCC2.
What is the InChIKey of ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
The InChIKey is AXMDNPPBLCXCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-11(17)16-13-12(14(18)19-4-2)9-7-5-6-8-10(9)15-13/h15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate?
ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1H-indole-3-carboxylate is sourced from PubChem (CID 110459309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).