2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide

C16H26N2O2 — CID 56815802

IUPAC2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14-7-5-13(6-8-14)11-18(9-10-20-4)12-15(17)19/h5-8H,9-12H2,1-4H3,(H2,17,19)
InChIKeyLKDFXISDZRGGOO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.92
Rot. Bonds7

About 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide

2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide (PubChem CID 56815802) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
PubChem CID56815802
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14-7-5-13(6-8-14)11-18(9-10-20-4)12-15(17)19/h5-8H,9-12H2,1-4H3,(H2,17,19)
InChIKeyLKDFXISDZRGGOO-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
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]-N,N-dimethylacetamide
CID 60504028
3-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 63285367
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide
CID 39418874
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
CID 61485337
2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
CID 61487456
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815803
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide (CID 56815802) is 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is LKDFXISDZRGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)14-7-5-13(6-8-14)11-18(9-10-20-4)12-15(17)19/h5-8H,9-12H2,1-4H3,(H2,17,19).
What are the key properties of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide?
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 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]acetamide is sourced from PubChem (CID 56815802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).