[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate

C19H23N3O4 — CID 7723695

IUPAC[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H23N3O4/c1-12-6-2-4-8-14(12)21-19(25)22-17(23)11-26-18(24)16-10-13-7-3-5-9-15(13)20-16/h3,5,7,9-10,12,14,20H,2,4,6,8,11H2,1H3,(H2,21,22,23,25)/t12-,14+/m0/s1
InChIKeyGQOYXOPFKYJPBB-GXTWGEPZSA-N
MW357.41 g/mol
LogP2.73
Rot. Bonds4

About [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate

[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 7723695) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID7723695
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H23N3O4/c1-12-6-2-4-8-14(12)21-19(25)22-17(23)11-26-18(24)16-10-13-7-3-5-9-15(13)20-16/h3,5,7,9-10,12,14,20H,2,4,6,8,11H2,1H3,(H2,21,22,23,25)/t12-,14+/m0/s1
InChIKeyGQOYXOPFKYJPBB-GXTWGEPZSA-N
XLogP2.73
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate with MolForge

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7722844
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 11906029
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7980769
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549722
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194099
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-1-carboxylate
CID 8707372
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956597
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663718
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7798258
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 11929185
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34506263

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate (CID 7723695) is [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate is C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is GQOYXOPFKYJPBB-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-6-2-4-8-14(12)21-19(25)22-17(23)11-26-18(24)16-10-13-7-3-5-9-15(13)20-16/h3,5,7,9-10,12,14,20H,2,4,6,8,11H2,1H3,(H2,21,22,23,25)/t12-,14+/m0/s1.
What are the key properties of [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate?
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7723695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).