N-[(3S)-hexan-3-yl]oxane-4-carboxamide

C12H23NO2 — CID 170970278

IUPACN-[(3S)-hexan-3-yl]oxane-4-carboxamide
SMILESCCC[C@H](CC)NC(=O)C1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-5-11(4-2)13-12(14)10-6-8-15-9-7-10/h10-11H,3-9H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyXVDRPTDVTASIPU-NSHDSACASA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About N-[(3S)-hexan-3-yl]oxane-4-carboxamide

N-[(3S)-hexan-3-yl]oxane-4-carboxamide (PubChem CID 170970278) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(3S)-hexan-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-hexan-3-yl]oxane-4-carboxamide
PubChem CID170970278
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(3S)-hexan-3-yl]oxane-4-carboxamide
SMILESCCC[C@H](CC)NC(=O)C1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-5-11(4-2)13-12(14)10-6-8-15-9-7-10/h10-11H,3-9H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyXVDRPTDVTASIPU-NSHDSACASA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-(1-aminopentan-2-yl)oxane-3-carboxamide
CID 65191424
N-(1-chloropropan-2-yl)oxane-4-carboxamide
CID 114299496
2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
CID 114995860
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-hexan-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3S)-hexan-3-yl]oxane-4-carboxamide (CID 170970278) is N-[(3S)-hexan-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3S)-hexan-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3S)-hexan-3-yl]oxane-4-carboxamide is CCC[C@H](CC)NC(=O)C1CCOCC1.
What is the InChIKey of N-[(3S)-hexan-3-yl]oxane-4-carboxamide?
The InChIKey is XVDRPTDVTASIPU-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-11(4-2)13-12(14)10-6-8-15-9-7-10/h10-11H,3-9H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[(3S)-hexan-3-yl]oxane-4-carboxamide?
N-[(3S)-hexan-3-yl]oxane-4-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-hexan-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 170970278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).