N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

C14H28N2O3 — CID 103899932

IUPACN-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCCO)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-13(2,3)12(19)15-9-11(18)16-10-14(4,5)7-6-8-17/h17H,6-10H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyGZFAZMZSPAEWTG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds7

About N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 103899932) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID103899932
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCCO)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-13(2,3)12(19)15-9-11(18)16-10-14(4,5)7-6-8-17/h17H,6-10H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyGZFAZMZSPAEWTG-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-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 103899932) is N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(CCCO)CNC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is GZFAZMZSPAEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)12(19)15-9-11(18)16-10-14(4,5)7-6-8-17/h17H,6-10H2,1-5H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide 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-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103899932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).