[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

C20H25N3O4 — CID 9111860

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2c1C
InChIInChI=1S/C20H25N3O4/c1-12-13(2)21-17-9-8-14(10-16(12)17)19(25)27-11-18(24)23-20(26)22-15-6-4-3-5-7-15/h8-10,15,21H,3-7,11H2,1-2H3,(H2,22,23,24,26)
InChIKeyYTGSROKCVSMDQP-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.10
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 9111860) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID9111860
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2c1C
InChIInChI=1S/C20H25N3O4/c1-12-13(2)21-17-9-8-14(10-16(12)17)19(25)27-11-18(24)23-20(26)22-15-6-4-3-5-7-15/h8-10,15,21H,3-7,11H2,1-2H3,(H2,22,23,24,26)
InChIKeyYTGSROKCVSMDQP-UHFFFAOYSA-N
XLogP3.10
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120693
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 9113754
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708768
(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 18099294
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010356
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 25379223
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
CID 7211666
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528590
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836797

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (CID 9111860) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is Cc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2c1C.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is YTGSROKCVSMDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12-13(2)21-17-9-8-14(10-16(12)17)19(25)27-11-18(24)23-20(26)22-15-6-4-3-5-7-15/h8-10,15,21H,3-7,11H2,1-2H3,(H2,22,23,24,26).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.10, 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] 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 9111860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).