3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide

C17H29NO2 — CID 170265396

IUPAC3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide
SMILESCCC1CC2CC(C)CC(C(=O)NC(=O)C(C)C)(C1)C2
InChIInChI=1S/C17H29NO2/c1-5-13-7-14-6-12(4)8-17(9-13,10-14)16(20)18-15(19)11(2)3/h11-14H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyPZTJPXZOYAXQDQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds3

About 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide

3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide (PubChem CID 170265396) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide
PubChem CID170265396
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide
SMILESCCC1CC2CC(C)CC(C(=O)NC(=O)C(C)C)(C1)C2
InChIInChI=1S/C17H29NO2/c1-5-13-7-14-6-12(4)8-17(9-13,10-14)16(20)18-15(19)11(2)3/h11-14H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyPZTJPXZOYAXQDQ-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-methylpropanoyl)adamantane-1-carbohydrazide
CID 2869304
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555
methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
CID 123912108
N-[3-(chloromethyl)pentan-3-yl]adamantane-1-carboxamide
CID 114304488
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
CID 145315254
N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 51175307
N-[2-(diethylamino)propyl]adamantane-1-carboxamide
CID 112502200
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide
CID 70936326

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide?
The IUPAC name of 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide (CID 170265396) is 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide.
What is the SMILES notation for 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide?
The canonical SMILES for 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide is CCC1CC2CC(C)CC(C(=O)NC(=O)C(C)C)(C1)C2.
What is the InChIKey of 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide?
The InChIKey is PZTJPXZOYAXQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-13-7-14-6-12(4)8-17(9-13,10-14)16(20)18-15(19)11(2)3/h11-14H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide?
3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide has a molecular weight of 279.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-N-(2-methylpropanoyl)bicyclo[3.3.1]nonane-1-carboxamide is sourced from PubChem (CID 170265396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).