[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate

C18H21N3O4 — CID 7722844

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2[nH]1)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H21N3O4/c22-16(21-18(24)19-13-7-2-1-3-8-13)11-25-17(23)15-10-12-6-4-5-9-14(12)20-15/h4-6,9-10,13,20H,1-3,7-8,11H2,(H2,19,21,22,24)
InChIKeyZRPPBEIHSVRKRQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.48
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 7722844) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID7722844
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2[nH]1)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H21N3O4/c22-16(21-18(24)19-13-7-2-1-3-8-13)11-25-17(23)15-10-12-6-4-5-9-14(12)20-15/h4-6,9-10,13,20H,1-3,7-8,11H2,(H2,19,21,22,24)
InChIKeyZRPPBEIHSVRKRQ-UHFFFAOYSA-N
XLogP2.48
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723695
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34506263
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193776
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 11906029
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3903369
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916330
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate (CID 7722844) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate is O=C(COC(=O)c1cc2ccccc2[nH]1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is ZRPPBEIHSVRKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16(21-18(24)19-13-7-2-1-3-8-13)11-25-17(23)15-10-12-6-4-5-9-14(12)20-15/h4-6,9-10,13,20H,1-3,7-8,11H2,(H2,19,21,22,24).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7722844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).