[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C21H25N3O4 — CID 7960087

IUPAC[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C21H25N3O4/c25-19(24-21(27)22-11-10-15-6-2-1-3-7-15)14-28-20(26)12-16-13-23-18-9-5-4-8-17(16)18/h4-6,8-9,13,23H,1-3,7,10-12,14H2,(H2,22,24,25,27)
InChIKeyOXCVIBVRQMCCMN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.97
Rot. Bonds7

About [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960087) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960087
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C21H25N3O4/c25-19(24-21(27)22-11-10-15-6-2-1-3-7-15)14-28-20(26)12-16-13-23-18-9-5-4-8-17(16)18/h4-6,8-9,13,23H,1-3,7,10-12,14H2,(H2,22,24,25,27)
InChIKeyOXCVIBVRQMCCMN-UHFFFAOYSA-N
XLogP2.97
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7958610
2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664517
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667448
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 55392642
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-phenylbutanoate
CID 42901173
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 4270679
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630880

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960087) is [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is O=C(COC(=O)Cc1c[nH]c2ccccc12)NC(=O)NCCC1=CCCCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is OXCVIBVRQMCCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-19(24-21(27)22-11-10-15-6-2-1-3-7-15)14-28-20(26)12-16-13-23-18-9-5-4-8-17(16)18/h4-6,8-9,13,23H,1-3,7,10-12,14H2,(H2,22,24,25,27).
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 383.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).