2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide

C14H30N2O2 — CID 107870710

IUPAC2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
SMILESCC(C)CCN(CCC(C)C)CC(=O)NCCO
InChIInChI=1S/C14H30N2O2/c1-12(2)5-8-16(9-6-13(3)4)11-14(18)15-7-10-17/h12-13,17H,5-11H2,1-4H3,(H,15,18)
InChIKeyMYSSMLFZNDEJLZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.49
Rot. Bonds10

About 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide

2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide (PubChem CID 107870710) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
PubChem CID107870710
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
SMILESCC(C)CCN(CCC(C)C)CC(=O)NCCO
InChIInChI=1S/C14H30N2O2/c1-12(2)5-8-16(9-6-13(3)4)11-14(18)15-7-10-17/h12-13,17H,5-11H2,1-4H3,(H,15,18)
InChIKeyMYSSMLFZNDEJLZ-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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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Related Compounds

2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide
CID 121265189
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327324
N-(2-hydroxyethyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43509527
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
3-[[2-(butylamino)-2-oxoethyl]-(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82327238
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methylbutyl)amino]propanoic acid
CID 82327356
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
N-(2-hydroxyethyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 169177259
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
CID 170012060

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide (CID 107870710) is 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide is CC(C)CCN(CCC(C)C)CC(=O)NCCO.
What is the InChIKey of 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide?
The InChIKey is MYSSMLFZNDEJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)5-8-16(9-6-13(3)4)11-14(18)15-7-10-17/h12-13,17H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide?
2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide has a molecular weight of 258.41 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107870710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).