2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide

C15H24N2O2 — CID 79810054

IUPAC2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-5-15(16,6-2)14(18)17(3)11-12-7-9-13(19-4)10-8-12/h7-10H,5-6,11,16H2,1-4H3
InChIKeyVMQUYCFKBZZZFF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds6

About 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide

2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 79810054) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
PubChem CID79810054
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-5-15(16,6-2)14(18)17(3)11-12-7-9-13(19-4)10-8-12/h7-10H,5-6,11,16H2,1-4H3
InChIKeyVMQUYCFKBZZZFF-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethyl-N-methylbutanamide
CID 79814212
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide (CID 79810054) is 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide is CCC(N)(CC)C(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is VMQUYCFKBZZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-15(16,6-2)14(18)17(3)11-12-7-9-13(19-4)10-8-12/h7-10H,5-6,11,16H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide?
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 79810054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).