[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate

C20H25N3O4 — CID 8817230

IUPAC[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H25N3O4/c1-13-7-3-5-9-16(13)21-20(26)22-18(24)12-27-19(25)15-11-23(2)17-10-6-4-8-14(15)17/h4,6,8,10-11,13,16H,3,5,7,9,12H2,1-2H3,(H2,21,22,24,26)/t13-,16+/m1/s1
InChIKeyXUNVTDHNPSGFNZ-CJNGLKHVSA-N
MW371.44 g/mol
LogP2.74
Rot. Bonds4

About [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate

[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate (PubChem CID 8817230) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
PubChem CID8817230
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H25N3O4/c1-13-7-3-5-9-16(13)21-20(26)22-18(24)12-27-19(25)15-11-23(2)17-10-6-4-8-14(15)17/h4,6,8,10-11,13,16H,3,5,7,9,12H2,1-2H3,(H2,21,22,24,26)/t13-,16+/m1/s1
InChIKeyXUNVTDHNPSGFNZ-CJNGLKHVSA-N
XLogP2.74
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate with MolForge

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-1-carboxylate
CID 8707372
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7798258
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 46693238
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 11929185
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838244
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663718
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956597
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8611579
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867736
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817073

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate (CID 8817230) is [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate is C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate?
The InChIKey is XUNVTDHNPSGFNZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-7-3-5-9-16(13)21-20(26)22-18(24)12-27-19(25)15-11-23(2)17-10-6-4-8-14(15)17/h4,6,8,10-11,13,16H,3,5,7,9,12H2,1-2H3,(H2,21,22,24,26)/t13-,16+/m1/s1.
What are the key properties of [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate?
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 8817230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).