2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

C17H28N2O2 — CID 111480691

IUPAC2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(20)10-17(2,3)13-18-16(21)12-19(4)11-15-8-6-5-7-9-15/h5-9,14,20H,10-13H2,1-4H3,(H,18,21)
InChIKeyWYVCXTUCPFGTDC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.03
Rot. Bonds8

About 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 111480691) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID111480691
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(20)10-17(2,3)13-18-16(21)12-19(4)11-15-8-6-5-7-9-15/h5-9,14,20H,10-13H2,1-4H3,(H,18,21)
InChIKeyWYVCXTUCPFGTDC-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
2-[benzyl(methyl)amino]-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 94806000
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-methyl-1-phenylpropyl)urea
CID 111507458

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (CID 111480691) is 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is CC(O)CC(C)(C)CNC(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is WYVCXTUCPFGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(20)10-17(2,3)13-18-16(21)12-19(4)11-15-8-6-5-7-9-15/h5-9,14,20H,10-13H2,1-4H3,(H,18,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 111480691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).