N-(2-phenylpropan-2-yl)pentalene-1-carboxamide

C18H17NO — CID 141292888

IUPACN-(2-phenylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(NC(=O)C1=C2C=CC=C2C=C1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-18(2,14-8-4-3-5-9-14)19-17(20)16-12-11-13-7-6-10-15(13)16/h3-12H,1-2H3,(H,19,20)
InChIKeyJKMFCFVRMFTQJD-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.40
Rot. Bonds3

About N-(2-phenylpropan-2-yl)pentalene-1-carboxamide

N-(2-phenylpropan-2-yl)pentalene-1-carboxamide (PubChem CID 141292888) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)pentalene-1-carboxamide
PubChem CID141292888
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-(2-phenylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(NC(=O)C1=C2C=CC=C2C=C1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-18(2,14-8-4-3-5-9-14)19-17(20)16-12-11-13-7-6-10-15(13)16/h3-12H,1-2H3,(H,19,20)
InChIKeyJKMFCFVRMFTQJD-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)pentalene-1-carboxamide?
The IUPAC name of N-(2-phenylpropan-2-yl)pentalene-1-carboxamide (CID 141292888) is N-(2-phenylpropan-2-yl)pentalene-1-carboxamide.
What is the SMILES notation for N-(2-phenylpropan-2-yl)pentalene-1-carboxamide?
The canonical SMILES for N-(2-phenylpropan-2-yl)pentalene-1-carboxamide is CC(C)(NC(=O)C1=C2C=CC=C2C=C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)pentalene-1-carboxamide?
The InChIKey is JKMFCFVRMFTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-18(2,14-8-4-3-5-9-14)19-17(20)16-12-11-13-7-6-10-15(13)16/h3-12H,1-2H3,(H,19,20).
What are the key properties of N-(2-phenylpropan-2-yl)pentalene-1-carboxamide?
N-(2-phenylpropan-2-yl)pentalene-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)pentalene-1-carboxamide is sourced from PubChem (CID 141292888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).