[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C22H21N3O4 — CID 7960361

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H21N3O4/c26-20(25-19-8-4-2-6-17(19)22(28)24-15-9-10-15)13-29-21(27)11-14-12-23-18-7-3-1-5-16(14)18/h1-8,12,15,23H,9-11,13H2,(H,24,28)(H,25,26)
InChIKeyWZHPSWVLRHIMAC-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.78
Rot. Bonds7

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960361) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960361
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H21N3O4/c26-20(25-19-8-4-2-6-17(19)22(28)24-15-9-10-15)13-29-21(27)11-14-12-23-18-7-3-1-5-16(14)18/h1-8,12,15,23H,9-11,13H2,(H,24,28)(H,25,26)
InChIKeyWZHPSWVLRHIMAC-UHFFFAOYSA-N
XLogP2.78
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7756074
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066149
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 40609388
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 24557188
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527057
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802675
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960361) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is WZHPSWVLRHIMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-20(25-19-8-4-2-6-17(19)22(28)24-15-9-10-15)13-29-21(27)11-14-12-23-18-7-3-1-5-16(14)18/h1-8,12,15,23H,9-11,13H2,(H,24,28)(H,25,26).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 391.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).