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

C15H24N2O2 — CID 115259966

IUPAC2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(N)=O)cc1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-8-11(6-7-13(12)19-5)9-17(4)10-14(16)18/h6-8H,9-10H2,1-5H3,(H2,16,18)
InChIKeyXKJFEGDLDSCDCM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.91
Rot. Bonds5

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

2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 115259966) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID115259966
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(N)=O)cc1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-8-11(6-7-13(12)19-5)9-17(4)10-14(16)18/h6-8H,9-10H2,1-5H3,(H2,16,18)
InChIKeyXKJFEGDLDSCDCM-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228051
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223039
N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115139923
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847423
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226184
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide (CID 115259966) is 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(N)=O)cc1C(C)(C)C.
What is the InChIKey of 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is XKJFEGDLDSCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)12-8-11(6-7-13(12)19-5)9-17(4)10-14(16)18/h6-8H,9-10H2,1-5H3,(H2,16,18).
What are the key properties of 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide?
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 115259966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).