2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide

C12H26N2O2 — CID 62022001

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(CCCO)C(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)8-13-12(16)9-14(11(3)4)6-5-7-15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyBTZRXBYFVZQYBR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds8

About 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide

2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 62022001) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID62022001
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(CCCO)C(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)8-13-12(16)9-14(11(3)4)6-5-7-15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyBTZRXBYFVZQYBR-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62014229
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-[2-hydroxyethyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 60691703
2-[[(1R)-1-cyclohexylethyl]-(2-hydroxyethyl)amino]-N-(2-methylpropyl)acetamide
CID 100669911
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081
2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide (CID 62022001) is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(CCCO)C(C)C.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is BTZRXBYFVZQYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)8-13-12(16)9-14(11(3)4)6-5-7-15/h10-11,15H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide?
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 62022001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).