N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide

C15H25NO3 — CID 57303087

IUPACN-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide
SMILESCC[C@@H]1C[C@@H](C(CC2CCCCC2)NC=O)OC1=O
InChIInChI=1S/C15H25NO3/c1-2-12-9-14(19-15(12)18)13(16-10-17)8-11-6-4-3-5-7-11/h10-14H,2-9H2,1H3,(H,16,17)/t12-,13?,14+/m1/s1
InChIKeyROTZCIWKRQSGHI-YIOYIWSBSA-N
MW267.37 g/mol
LogP2.41
Rot. Bonds6

About N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide

N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide (PubChem CID 57303087) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide
PubChem CID57303087
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide
SMILESCC[C@@H]1C[C@@H](C(CC2CCCCC2)NC=O)OC1=O
InChIInChI=1S/C15H25NO3/c1-2-12-9-14(19-15(12)18)13(16-10-17)8-11-6-4-3-5-7-11/h10-14H,2-9H2,1H3,(H,16,17)/t12-,13?,14+/m1/s1
InChIKeyROTZCIWKRQSGHI-YIOYIWSBSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide?
The IUPAC name of N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide (CID 57303087) is N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide.
What is the SMILES notation for N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide?
The canonical SMILES for N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide is CC[C@@H]1C[C@@H](C(CC2CCCCC2)NC=O)OC1=O.
What is the InChIKey of N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide?
The InChIKey is ROTZCIWKRQSGHI-YIOYIWSBSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-12-9-14(19-15(12)18)13(16-10-17)8-11-6-4-3-5-7-11/h10-14H,2-9H2,1H3,(H,16,17)/t12-,13?,14+/m1/s1.
What are the key properties of N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide?
N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide has a molecular weight of 267.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethyl]formamide is sourced from PubChem (CID 57303087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).