2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

C18H30N2O2 — CID 60504028

IUPAC2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)16-9-7-15(8-10-16)13-20(11-12-22-6)14-17(21)19(4)5/h7-10H,11-14H2,1-6H3
InChIKeyYGLGUMOKBAWZOZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.52
Rot. Bonds7

About 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 60504028) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID60504028
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)16-9-7-15(8-10-16)13-20(11-12-22-6)14-17(21)19(4)5/h7-10H,11-14H2,1-6H3
InChIKeyYGLGUMOKBAWZOZ-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide
CID 39418874
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
3-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 63285367
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
CID 126761416
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 60504028) is 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is YGLGUMOKBAWZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-18(2,3)16-9-7-15(8-10-16)13-20(11-12-22-6)14-17(21)19(4)5/h7-10H,11-14H2,1-6H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 306.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 60504028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).