N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide

C18H30N2O3 — CID 170758430

IUPACN-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide
SMILESCC(OCC1CCCCC1)C(NC=O)C(=O)N1CC2(CCC2)C1
InChIInChI=1S/C18H30N2O3/c1-14(23-10-15-6-3-2-4-7-15)16(19-13-21)17(22)20-11-18(12-20)8-5-9-18/h13-16H,2-12H2,1H3,(H,19,21)
InChIKeySDXVRRJOWVNUOA-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.10
Rot. Bonds7

About N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide

N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide (PubChem CID 170758430) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide
PubChem CID170758430
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide
SMILESCC(OCC1CCCCC1)C(NC=O)C(=O)N1CC2(CCC2)C1
InChIInChI=1S/C18H30N2O3/c1-14(23-10-15-6-3-2-4-7-15)16(19-13-21)17(22)20-11-18(12-20)8-5-9-18/h13-16H,2-12H2,1H3,(H,19,21)
InChIKeySDXVRRJOWVNUOA-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170758965
ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
CID 171594312
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
N-[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octane-8-carboxamide
CID 170758173
N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide
CID 171593978
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide
CID 171593725
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide?
The IUPAC name of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide (CID 170758430) is N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide.
What is the SMILES notation for N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide?
The canonical SMILES for N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide is CC(OCC1CCCCC1)C(NC=O)C(=O)N1CC2(CCC2)C1.
What is the InChIKey of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide?
The InChIKey is SDXVRRJOWVNUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(23-10-15-6-3-2-4-7-15)16(19-13-21)17(22)20-11-18(12-20)8-5-9-18/h13-16H,2-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide?
N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide has a molecular weight of 322.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide is sourced from PubChem (CID 170758430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).