N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

C20H26N2O2 — CID 110919048

IUPACN-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-4-18(23)13-22(17-11-6-5-7-12-17)14-19(24)21-20-15(2)9-8-10-16(20)3/h5-12,18,23H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyCKPCGWDDABMQND-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.52
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (PubChem CID 110919048) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
PubChem CID110919048
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-4-18(23)13-22(17-11-6-5-7-12-17)14-19(24)21-20-15(2)9-8-10-16(20)3/h5-12,18,23H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyCKPCGWDDABMQND-UHFFFAOYSA-N
XLogP3.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110919043
N-cyclopentyl-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 51108555
N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide
CID 94817476
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
N-(2,6-dimethylphenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289243
3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109036517
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (CID 110919048) is N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is CCC(O)CN(CC(=O)Nc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The InChIKey is CKPCGWDDABMQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-18(23)13-22(17-11-6-5-7-12-17)14-19(24)21-20-15(2)9-8-10-16(20)3/h5-12,18,23H,4,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is sourced from PubChem (CID 110919048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).