4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide

C13H24N2O3 — CID 107221645

IUPAC4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H24N2O3/c1-2-14-11-8-18-7-9(11)13(17)15-10-5-3-4-6-12(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11?,12-/m0/s1
InChIKeySOZOTASMVSHCAX-ADPBJBESSA-N
MW256.35 g/mol
LogP0.03
Rot. Bonds4

About 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide

4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide (PubChem CID 107221645) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide
PubChem CID107221645
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H24N2O3/c1-2-14-11-8-18-7-9(11)13(17)15-10-5-3-4-6-12(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11?,12-/m0/s1
InChIKeySOZOTASMVSHCAX-ADPBJBESSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide (CID 107221645) is 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide?
The InChIKey is SOZOTASMVSHCAX-ADPBJBESSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-14-11-8-18-7-9(11)13(17)15-10-5-3-4-6-12(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11?,12-/m0/s1.
What are the key properties of 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 107221645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).