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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Related Compounds

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CID 60848284
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CID 106738709
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide
CID 112765567
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
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CID 43396404
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
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(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657

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).