2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide

C16H26N2O3 — CID 79814208

IUPAC2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-16(17,7-2)15(19)18(3)11-12-8-9-13(20-4)14(10-12)21-5/h8-10H,6-7,11,17H2,1-5H3
InChIKeySNCYCQSKRIKRPI-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.18
Rot. Bonds7

About 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide

2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide (PubChem CID 79814208) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
PubChem CID79814208
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-16(17,7-2)15(19)18(3)11-12-8-9-13(20-4)14(10-12)21-5/h8-10H,6-7,11,17H2,1-5H3
InChIKeySNCYCQSKRIKRPI-UHFFFAOYSA-N
XLogP2.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 115432186
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 81070299
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide (CID 79814208) is 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide is CCC(N)(CC)C(=O)N(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is SNCYCQSKRIKRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-16(17,7-2)15(19)18(3)11-12-8-9-13(20-4)14(10-12)21-5/h8-10H,6-7,11,17H2,1-5H3.
What are the key properties of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide?
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 79814208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).