N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide

C14H28N2O3 — CID 71848427

IUPACN-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)6-7-12(18)16-9-13(19)15-8-11(17)14(3,4)5/h10-11,17H,6-9H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyROIVFCDEVMZFNH-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds7

About N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide

N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide (PubChem CID 71848427) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide
PubChem CID71848427
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)6-7-12(18)16-9-13(19)15-8-11(17)14(3,4)5/h10-11,17H,6-9H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyROIVFCDEVMZFNH-UHFFFAOYSA-N
XLogP1.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide (CID 71848427) is N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)NCC(O)C(C)(C)C.
What is the InChIKey of N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide?
The InChIKey is ROIVFCDEVMZFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)6-7-12(18)16-9-13(19)15-8-11(17)14(3,4)5/h10-11,17H,6-9H2,1-5H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide?
N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide has a molecular weight of 272.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 71848427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).