2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide

C14H22N2O2 — CID 96676289

IUPAC2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)11-7-10(5-6-12(11)18-4)9-16-13(17)8-15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyABAYKJGYYVVKDS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide

2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide (PubChem CID 96676289) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
PubChem CID96676289
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)11-7-10(5-6-12(11)18-4)9-16-13(17)8-15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyABAYKJGYYVVKDS-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
2-amino-N-[(5-tert-butyl-4-methoxy-2-methylphenyl)methyl]acetamide
CID 96678465
N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 110780466
2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847423
2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide
CID 116845452
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide (CID 96676289) is 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN)cc1C(C)(C)C.
What is the InChIKey of 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide?
The InChIKey is ABAYKJGYYVVKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)11-7-10(5-6-12(11)18-4)9-16-13(17)8-15/h5-7H,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide?
2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 96676289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).