tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate

C19H27N3O4 — CID 118248881

IUPACtert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
SMILESCCNC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-6-20-17(23)16-13(9-10-21-18(24)26-19(2,3)4)14-11-12(25-5)7-8-15(14)22-16/h7-8,11,22H,6,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyXFYSBYICJOFELS-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.99
Rot. Bonds6

About tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate

tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate (PubChem CID 118248881) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
PubChem CID118248881
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
SMILESCCNC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-6-20-17(23)16-13(9-10-21-18(24)26-19(2,3)4)14-11-12(25-5)7-8-15(14)22-16/h7-8,11,22H,6,9-10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyXFYSBYICJOFELS-UHFFFAOYSA-N
XLogP2.99
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
methyl N-[2-[2-[C-[3,5-bis(trifluoromethyl)phenyl]-N-ethylcarbonimidoyl]-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 155545459
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208
6-fluoro-5-methoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-2-carboxylic acid
CID 118074756
ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58172045
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
ethyl 5-(carbamoylamino)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate
CID 66999381
3-[(2-ethylbutanoylamino)methyl]-5-methoxy-1H-indole-2-carboxylic acid
CID 94949022
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate (CID 118248881) is tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate is CCNC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is XFYSBYICJOFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-6-20-17(23)16-13(9-10-21-18(24)26-19(2,3)4)14-11-12(25-5)7-8-15(14)22-16/h7-8,11,22H,6,9-10H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 361.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 118248881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).