methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate

C15H19N3O4 — CID 102349315

IUPACmethyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(OC)c2ccc(NC(C)=O)cc12
InChIInChI=1S/C15H19N3O4/c1-10(19)17-12-4-5-14-13(8-12)11(9-18(14)22-3)6-7-16-15(20)21-2/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyFSAXIHOVEJWWHI-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.56
Rot. Bonds5

About methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate

methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate (PubChem CID 102349315) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate
PubChem CID102349315
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(OC)c2ccc(NC(C)=O)cc12
InChIInChI=1S/C15H19N3O4/c1-10(19)17-12-4-5-14-13(8-12)11(9-18(14)22-3)6-7-16-15(20)21-2/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyFSAXIHOVEJWWHI-UHFFFAOYSA-N
XLogP1.56
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide
CID 101450267
2-hydroxy-N-[2-(1-methoxyindol-3-yl)ethyl]acetamide
CID 69330952
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 110790393
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
2-(1-methoxyindol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 141490312
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
CID 162470818
tert-butyl N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 10137433
tert-butyl N-[2-[3,6-bis(3,4-dichloroanilino)carbazol-9-yl]ethyl]carbamate
CID 171794194
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 110790394
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate (CID 102349315) is methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate is COC(=O)NCCc1cn(OC)c2ccc(NC(C)=O)cc12.
What is the InChIKey of methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate?
The InChIKey is FSAXIHOVEJWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10(19)17-12-4-5-14-13(8-12)11(9-18(14)22-3)6-7-16-15(20)21-2/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate?
methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate is sourced from PubChem (CID 102349315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).