N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide

C16H31NO — CID 20790179

IUPACN-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO/c1-15(2,3)11-13(10-9-12-7-8-12)14(18)17-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyCFXSNGBEAKDKSJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.14
Rot. Bonds5

About N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide

N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide (PubChem CID 20790179) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide
PubChem CID20790179
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO/c1-15(2,3)11-13(10-9-12-7-8-12)14(18)17-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyCFXSNGBEAKDKSJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide?
The IUPAC name of N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide (CID 20790179) is N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CCC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide?
The InChIKey is CFXSNGBEAKDKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)11-13(10-9-12-7-8-12)14(18)17-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide?
N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide has a molecular weight of 253.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyclopropylethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 20790179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).