N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

C17H28N2O2 — CID 87013061

IUPACN-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)NCCC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-17(2,3)10-11-18-16(20)14-19(4)12-13-21-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,18,20)
InChIKeyRBPUOQVKKCWDLR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.55
Rot. Bonds8

About N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 87013061) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID87013061
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)NCCC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-17(2,3)10-11-18-16(20)14-19(4)12-13-21-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,18,20)
InChIKeyRBPUOQVKKCWDLR-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-hydroxypentyl(methyl)amino]-N-(2-phenoxyethyl)acetamide
CID 107204277
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751
N-(4-fluorophenyl)-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]acetamide
CID 8797411
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18124582
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 87013061) is N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is CN(CCOc1ccccc1)CC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is RBPUOQVKKCWDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)10-11-18-16(20)14-19(4)12-13-21-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,18,20).
What are the key properties of N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 87013061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).