N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide

C14H30N2O2 — CID 109380805

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CN(C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)13(18)14(5,6)9-15-12(17)8-16(7)11(3)4/h10-11,13,18H,8-9H2,1-7H3,(H,15,17)
InChIKeyBOQUVBBEOLHJPD-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.49
Rot. Bonds7

About N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 109380805) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID109380805
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CN(C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)13(18)14(5,6)9-15-12(17)8-16(7)11(3)4/h10-11,13,18H,8-9H2,1-7H3,(H,15,17)
InChIKeyBOQUVBBEOLHJPD-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide (CID 109380805) is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide is CC(C)C(O)C(C)(C)CNC(=O)CN(C)C(C)C.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is BOQUVBBEOLHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(2)13(18)14(5,6)9-15-12(17)8-16(7)11(3)4/h10-11,13,18H,8-9H2,1-7H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 258.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 109380805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).