2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide

C15H21NO — CID 121446742

IUPAC2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
SMILESCCC(C)(C)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-4-14(2,3)13(17)16-15(10-11-15)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyWQYRHIARTQCBJJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.23
Rot. Bonds4

About 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide

2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide (PubChem CID 121446742) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
PubChem CID121446742
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
SMILESCCC(C)(C)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-4-14(2,3)13(17)16-15(10-11-15)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyWQYRHIARTQCBJJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide (CID 121446742) is 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide is CCC(C)(C)C(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
The InChIKey is WQYRHIARTQCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-14(2,3)13(17)16-15(10-11-15)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide has a molecular weight of 231.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide is sourced from PubChem (CID 121446742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).