N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide

C19H32N2O2 — CID 111488372

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H32N2O2/c1-13(2)16-8-7-9-17(14(3)4)19(16)20-18(23)12-21(6)11-10-15(5)22/h7-9,13-15,22H,10-12H2,1-6H3,(H,20,23)
InChIKeyOUMXEOQUWDQZBG-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.57
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 111488372) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID111488372
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H32N2O2/c1-13(2)16-8-7-9-17(14(3)4)19(16)20-18(23)12-21(6)11-10-15(5)22/h7-9,13-15,22H,10-12H2,1-6H3,(H,20,23)
InChIKeyOUMXEOQUWDQZBG-UHFFFAOYSA-N
XLogP3.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 111488372) is N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide is CC(O)CCN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is OUMXEOQUWDQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13(2)16-8-7-9-17(14(3)4)19(16)20-18(23)12-21(6)11-10-15(5)22/h7-9,13-15,22H,10-12H2,1-6H3,(H,20,23).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 111488372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).