2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide

C16H26N2O2 — CID 115665846

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)14-7-5-6-8-15(14)17-16(20)11-18(4)10-9-13(3)19/h5-8,12-13,19H,9-11H2,1-4H3,(H,17,20)
InChIKeyZQXURMLCLQMNLE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds7

About 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide

2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 115665846) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID115665846
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)14-7-5-6-8-15(14)17-16(20)11-18(4)10-9-13(3)19/h5-8,12-13,19H,9-11H2,1-4H3,(H,17,20)
InChIKeyZQXURMLCLQMNLE-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
2-[benzhydryl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8730199
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666901
2-[N-(2-hydroxyethyl)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 110880303
2-[2-hydroxyethyl(propyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 60692713
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 111496944

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide (CID 115665846) is 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide is CC(O)CCN(C)CC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is ZQXURMLCLQMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)14-7-5-6-8-15(14)17-16(20)11-18(4)10-9-13(3)19/h5-8,12-13,19H,9-11H2,1-4H3,(H,17,20).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 115665846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).