ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate

C23H27N3O4 — CID 56558488

IUPACethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H27N3O4/c1-3-30-23(28)25-15-14-24-21(27)13-12-19-18-6-4-5-7-20(18)26-22(19)16-8-10-17(29-2)11-9-16/h4-11,26H,3,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLLVYKORDTAJTJA-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.64
Rot. Bonds9

About ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate

ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate (PubChem CID 56558488) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
PubChem CID56558488
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Nameethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H27N3O4/c1-3-30-23(28)25-15-14-24-21(27)13-12-19-18-6-4-5-7-20(18)26-22(19)16-8-10-17(29-2)11-9-16/h4-11,26H,3,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLLVYKORDTAJTJA-UHFFFAOYSA-N
XLogP3.64
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 56562383
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
benzyl 2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]acetate
CID 27711373
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 25492281
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 27772937
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(5-methylhexan-2-yl)propanamide
CID 16566418
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate (CID 56558488) is ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate is CCOC(=O)NCCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12.
What is the InChIKey of ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate?
The InChIKey is LLVYKORDTAJTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-30-23(28)25-15-14-24-21(27)13-12-19-18-6-4-5-7-20(18)26-22(19)16-8-10-17(29-2)11-9-16/h4-11,26H,3,12-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate?
ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate has a molecular weight of 409.49 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate is sourced from PubChem (CID 56558488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).