[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

C21H24N2O5 — CID 8596658

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C21H24N2O5/c1-27-18-12-11-17(15-9-5-6-10-16(15)18)20(25)28-13-19(24)23-21(26)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H2,22,23,24,26)
InChIKeyIGKHYGPRTNETTN-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.16
Rot. Bonds5

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (PubChem CID 8596658) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
PubChem CID8596658
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C21H24N2O5/c1-27-18-12-11-17(15-9-5-6-10-16(15)18)20(25)28-13-19(24)23-21(26)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H2,22,23,24,26)
InChIKeyIGKHYGPRTNETTN-UHFFFAOYSA-N
XLogP3.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 3939967
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9003218
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8611579
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518395
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596815
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (CID 8596658) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c2ccccc12.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The InChIKey is IGKHYGPRTNETTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-27-18-12-11-17(15-9-5-6-10-16(15)18)20(25)28-13-19(24)23-21(26)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H2,22,23,24,26).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 8596658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).