N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide

C17H32N2O3 — CID 145328883

IUPACN-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H]1COC[C@H](NC(=O)CCCCC)C1
InChIInChI=1S/C17H32N2O3/c1-3-5-7-9-16(20)18-14-11-15(13-22-12-14)19-17(21)10-8-6-4-2/h14-15H,3-13H2,1-2H3,(H,18,20)(H,19,21)/t14-,15+
InChIKeyXZGGRWNLRBDNDS-GASCZTMLSA-N
MW312.45 g/mol
LogP2.54
Rot. Bonds10

About N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide

N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide (PubChem CID 145328883) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide
PubChem CID145328883
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H]1COC[C@H](NC(=O)CCCCC)C1
InChIInChI=1S/C17H32N2O3/c1-3-5-7-9-16(20)18-14-11-15(13-22-12-14)19-17(21)10-8-6-4-2/h14-15H,3-13H2,1-2H3,(H,18,20)(H,19,21)/t14-,15+
InChIKeyXZGGRWNLRBDNDS-GASCZTMLSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide?
The IUPAC name of N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide (CID 145328883) is N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide.
What is the SMILES notation for N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide?
The canonical SMILES for N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide is CCCCCC(=O)N[C@@H]1COC[C@H](NC(=O)CCCCC)C1.
What is the InChIKey of N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide?
The InChIKey is XZGGRWNLRBDNDS-GASCZTMLSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-3-5-7-9-16(20)18-14-11-15(13-22-12-14)19-17(21)10-8-6-4-2/h14-15H,3-13H2,1-2H3,(H,18,20)(H,19,21)/t14-,15+.
What are the key properties of N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide?
N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide has a molecular weight of 312.45 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-(hexanoylamino)oxan-3-yl]hexanamide is sourced from PubChem (CID 145328883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).