2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide

C16H26N2O2 — CID 111334191

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1cccc(C)c1)CC(C)(C)O
InChIInChI=1S/C16H26N2O2/c1-5-18(12-16(3,4)20)11-15(19)17-10-14-8-6-7-13(2)9-14/h6-9,20H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyCYUVPVYYSMNFLB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds7

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 111334191) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID111334191
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1cccc(C)c1)CC(C)(C)O
InChIInChI=1S/C16H26N2O2/c1-5-18(12-16(3,4)20)11-15(19)17-10-14-8-6-7-13(2)9-14/h6-9,20H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyCYUVPVYYSMNFLB-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N-(2,4-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963407
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
3-[methyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911397
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 122152484
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 111488709
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-fluorophenyl)acetamide
CID 78962382
N-(3-acetylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962325

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide (CID 111334191) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide is CCN(CC(=O)NCc1cccc(C)c1)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is CYUVPVYYSMNFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(12-16(3,4)20)11-15(19)17-10-14-8-6-7-13(2)9-14/h6-9,20H,5,10-12H2,1-4H3,(H,17,19).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 111334191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).