N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide

C20H27NO2 — CID 4231601

IUPACN-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C23CC4CCC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO2/c1-2-23-18-7-5-17(6-8-18)21-19(22)20-11-14-3-4-15(12-20)10-16(9-14)13-20/h5-8,14-16H,2-4,9-13H2,1H3,(H,21,22)
InChIKeySHSYTTGECXWOFD-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.63
Rot. Bonds4

About N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide

N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide (PubChem CID 4231601) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
PubChem CID4231601
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C23CC4CCC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO2/c1-2-23-18-7-5-17(6-8-18)21-19(22)20-11-14-3-4-15(12-20)10-16(9-14)13-20/h5-8,14-16H,2-4,9-13H2,1H3,(H,21,22)
InChIKeySHSYTTGECXWOFD-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-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-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787396
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
CID 6595849
N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
CID 93125674
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide
CID 60538227
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
1-(1-adamantyl)-3-(4-ethoxyphenyl)thiourea
CID 2890490
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 5197400

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide (CID 4231601) is N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide is CCOc1ccc(NC(=O)C23CC4CCC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The InChIKey is SHSYTTGECXWOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-2-23-18-7-5-17(6-8-18)21-19(22)20-11-14-3-4-15(12-20)10-16(9-14)13-20/h5-8,14-16H,2-4,9-13H2,1H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide is sourced from PubChem (CID 4231601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).