3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide

C16H26N2O2 — CID 106260825

IUPAC3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18-11-10-12-8-6-7-9-13(12)20-5/h6-9H,10-11,17H2,1-5H3,(H,18,19)
InChIKeyVAOAWHOFQRZZLD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds6

About 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide

3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide (PubChem CID 106260825) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
PubChem CID106260825
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18-11-10-12-8-6-7-9-13(12)20-5/h6-9H,10-11,17H2,1-5H3,(H,18,19)
InChIKeyVAOAWHOFQRZZLD-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108957803
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149
4-amino-1-(2-methoxyphenyl)-3,3,4-trimethylpentan-2-one
CID 116573767
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197724
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide (CID 106260825) is 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide is COc1ccccc1CCNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
The InChIKey is VAOAWHOFQRZZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18-11-10-12-8-6-7-9-13(12)20-5/h6-9H,10-11,17H2,1-5H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 106260825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).