N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide

C14H23NO — CID 59981577

IUPACN-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C14H23NO/c1-13(2,3)10-7-8-11(9-10)15-12(16)14(4,5)6/h7-8H,9H2,1-6H3,(H,15,16)
InChIKeyWMXCONOELNIWOF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.41
Rot. Bonds1

About N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide

N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide (PubChem CID 59981577) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide
PubChem CID59981577
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C14H23NO/c1-13(2,3)10-7-8-11(9-10)15-12(16)14(4,5)6/h7-8H,9H2,1-6H3,(H,15,16)
InChIKeyWMXCONOELNIWOF-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide (CID 59981577) is N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1=CC=C(C(C)(C)C)C1.
What is the InChIKey of N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide?
The InChIKey is WMXCONOELNIWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)10-7-8-11(9-10)15-12(16)14(4,5)6/h7-8H,9H2,1-6H3,(H,15,16).
What are the key properties of N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide?
N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide has a molecular weight of 221.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59981577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).