(2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide

C14H27NO — CID 59102622

IUPAC(2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide
SMILESCC(C)(C)C[C@@H](C(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-13(2,3)9-11(14(4,5)6)12(16)15-10-7-8-10/h10-11H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1
InChIKeyUPSMBZRVSUKMEC-NSHDSACASA-N
MW225.38 g/mol
LogP3.36
Rot. Bonds3

About (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide

(2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide (PubChem CID 59102622) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide
PubChem CID59102622
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide
SMILESCC(C)(C)C[C@@H](C(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-13(2,3)9-11(14(4,5)6)12(16)15-10-7-8-10/h10-11H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1
InChIKeyUPSMBZRVSUKMEC-NSHDSACASA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide?
The IUPAC name of (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide (CID 59102622) is (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide is CC(C)(C)C[C@@H](C(=O)NC1CC1)C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide?
The InChIKey is UPSMBZRVSUKMEC-NSHDSACASA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)9-11(14(4,5)6)12(16)15-10-7-8-10/h10-11H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide?
(2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide has a molecular weight of 225.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide is sourced from PubChem (CID 59102622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).