N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide

C18H23NO — CID 172505604

IUPACN-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2C3CC4CC3CC42)c1
InChIInChI=1S/C18H23NO/c1-10(2)11-4-3-5-14(7-11)19-18(20)17-15-8-12-6-13(15)9-16(12)17/h3-5,7,10,12-13,15-17H,6,8-9H2,1-2H3,(H,19,20)
InChIKeyQWXVRUZBLODSQM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.04
Rot. Bonds3

About N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide

N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide (PubChem CID 172505604) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide
PubChem CID172505604
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2C3CC4CC3CC42)c1
InChIInChI=1S/C18H23NO/c1-10(2)11-4-3-5-14(7-11)19-18(20)17-15-8-12-6-13(15)9-16(12)17/h3-5,7,10,12-13,15-17H,6,8-9H2,1-2H3,(H,19,20)
InChIKeyQWXVRUZBLODSQM-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide?
The IUPAC name of N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide (CID 172505604) is N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide.
What is the SMILES notation for N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide?
The canonical SMILES for N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide is CC(C)c1cccc(NC(=O)C2C3CC4CC3CC42)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide?
The InChIKey is QWXVRUZBLODSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-10(2)11-4-3-5-14(7-11)19-18(20)17-15-8-12-6-13(15)9-16(12)17/h3-5,7,10,12-13,15-17H,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide?
N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide is sourced from PubChem (CID 172505604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).