[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate

C18H25N3O5 — CID 4881814

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N3O5/c1-3-25-16-14(10-7-11-19-16)17(23)26-12(2)15(22)21-18(24)20-13-8-5-4-6-9-13/h7,10-13H,3-6,8-9H2,1-2H3,(H2,20,21,22,24)
InChIKeyLDDPEFQPEKSDPY-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.18
Rot. Bonds6

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate (PubChem CID 4881814) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
PubChem CID4881814
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N3O5/c1-3-25-16-14(10-7-11-19-16)17(23)26-12(2)15(22)21-18(24)20-13-8-5-4-6-9-13/h7,10-13H,3-6,8-9H2,1-2H3,(H2,20,21,22,24)
InChIKeyLDDPEFQPEKSDPY-UHFFFAOYSA-N
XLogP2.18
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate (CID 4881814) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is LDDPEFQPEKSDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-3-25-16-14(10-7-11-19-16)17(23)26-12(2)15(22)21-18(24)20-13-8-5-4-6-9-13/h7,10-13H,3-6,8-9H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 4881814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).