N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide

C16H27NO — CID 516776

IUPACN-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide
SMILESCCCCNC(=O)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C16H27NO/c1-2-3-9-17-15(18)16-8-4-5-13-10-12(11-16)6-7-14(13)16/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyPWXGWYKJKXVGSZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds4

About N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide

N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide (PubChem CID 516776) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide.

Molecular Properties

Compound NameN-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide
PubChem CID516776
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide
SMILESCCCCNC(=O)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C16H27NO/c1-2-3-9-17-15(18)16-8-4-5-13-10-12(11-16)6-7-14(13)16/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyPWXGWYKJKXVGSZ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyltricyclo[5.3.1.03,8]undecane-3-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

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
Cyclohexanecarboxamide, 4-(cyclohexylmethyl)-N-butyl-
CID 299686
N-(3,7-dimethyloctyl)adamantane-2-carboxamide
CID 162661126
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
N-butyladamantane-1-carboxamide
CID 585486
1,6-Methanonaphthalene-1(2H)-carboxamide, octahydro-N-methyl-
CID 516775
Octahydro-1,6-methano-naphthalene-1-carboxylic acid cyclohexylamide
CID 516777
N-(3,7-dimethyloctyl)adamantane-1-carboxamide
CID 162672826
3,5,7-trimethyl-N-propyl-1-adamantanecarboxamide
CID 2886178
2-(Isopropyl)-5-methyl-N-propylcyclohexanecarboxamide
CID 3018432
N-(4-fluoro-3-methylbutyl)adamantane-1-carboxamide
CID 177852059

Frequently Asked Questions

What is the IUPAC name of N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
The IUPAC name of N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide (CID 516776) is N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide.
What is the SMILES notation for N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
The canonical SMILES for N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide is CCCCNC(=O)C12CCCC3CC(CCC31)C2.
What is the InChIKey of N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
The InChIKey is PWXGWYKJKXVGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-9-17-15(18)16-8-4-5-13-10-12(11-16)6-7-14(13)16/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide is sourced from PubChem (CID 516776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).