N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide

C15H25NO2 — CID 135280886

IUPACN-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1(C)CC2CC(C)CC(C2)C1
InChIInChI=1S/C15H25NO2/c1-10-4-12-7-13(5-10)9-15(3,8-12)16-14(18)6-11(2)17/h10,12-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyDILBMOPVJONQDC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.69
Rot. Bonds3

About N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide

N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide (PubChem CID 135280886) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide
PubChem CID135280886
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1(C)CC2CC(C)CC(C2)C1
InChIInChI=1S/C15H25NO2/c1-10-4-12-7-13(5-10)9-15(3,8-12)16-14(18)6-11(2)17/h10,12-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyDILBMOPVJONQDC-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea
CID 145237634
2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
CID 159210757
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
3-[4-(4-aminobutanoyl)piperazin-1-yl]-N-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)-3-oxopropanamide
CID 174165629
2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide
CID 166540472
N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-ethoxy-4-phenylsulfanyl-1,2-oxazole-5-carboxamide
CID 66827255
N-(2-adamantyl)-3-oxobutanamide
CID 879553
1-(1-adamantyl)propan-2-one;methane
CID 157057031
N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930212
N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide
CID 70936326
N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543808
acetic acid;1-chloroadamantane
CID 175013443

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide?
The IUPAC name of N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide (CID 135280886) is N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide.
What is the SMILES notation for N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide?
The canonical SMILES for N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide is CC(=O)CC(=O)NC1(C)CC2CC(C)CC(C2)C1.
What is the InChIKey of N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide?
The InChIKey is DILBMOPVJONQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-4-12-7-13(5-10)9-15(3,8-12)16-14(18)6-11(2)17/h10,12-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide?
N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide has a molecular weight of 251.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide is sourced from PubChem (CID 135280886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).