N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide

C16H31NO3 — CID 143289321

IUPACN-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide
SMILESCCCCCCCCC(=O)N[C@@H]1COCC[C@H](OC)C1
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-16(18)17-14-12-15(19-2)10-11-20-13-14/h14-15H,3-13H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyLMIGBLOMBFENBG-GJZGRUSLSA-N
MW285.43 g/mol
LogP3.05
Rot. Bonds9

About N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide

N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide (PubChem CID 143289321) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide
PubChem CID143289321
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide
SMILESCCCCCCCCC(=O)N[C@@H]1COCC[C@H](OC)C1
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-16(18)17-14-12-15(19-2)10-11-20-13-14/h14-15H,3-13H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyLMIGBLOMBFENBG-GJZGRUSLSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxycyclopentyl)butanamide
CID 103082475
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-(4-oxocyclohexyl)octanamide
CID 43652747
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
methyl 4-(hexanoylamino)cyclohexane-1-carboxylate
CID 112689997
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
trans-methyl (1S,2S)-2-(dodecanoylamino)cyclobutane-1-carboxylate
CID 177480938
1-(oxolan-3-yl)nonan-1-one
CID 65330227

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide?
The IUPAC name of N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide (CID 143289321) is N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide.
What is the SMILES notation for N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide?
The canonical SMILES for N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide is CCCCCCCCC(=O)N[C@@H]1COCC[C@H](OC)C1.
What is the InChIKey of N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide?
The InChIKey is LMIGBLOMBFENBG-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-16(18)17-14-12-15(19-2)10-11-20-13-14/h14-15H,3-13H2,1-2H3,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide?
N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide has a molecular weight of 285.43 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide is sourced from PubChem (CID 143289321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).