N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C18H30N2O4 — CID 56823979

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCC(C)N(C)CCNC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H30N2O4/c1-7-13(2)20(3)9-8-19-17(21)12-14-10-15(22-4)18(24-6)16(11-14)23-5/h10-11,13H,7-9,12H2,1-6H3,(H,19,21)
InChIKeyUDXVXWUOAQREDZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.10
Rot. Bonds10

About N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 56823979) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID56823979
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCC(C)N(C)CCNC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H30N2O4/c1-7-13(2)20(3)9-8-19-17(21)12-14-10-15(22-4)18(24-6)16(11-14)23-5/h10-11,13H,7-9,12H2,1-6H3,(H,19,21)
InChIKeyUDXVXWUOAQREDZ-UHFFFAOYSA-N
XLogP2.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 97186150
3-[[(2R)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 97186149
di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
CID 8919196
N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8008074
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111096359
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 42703860
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 56823979) is N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is CCC(C)N(C)CCNC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is UDXVXWUOAQREDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-7-13(2)20(3)9-8-19-17(21)12-14-10-15(22-4)18(24-6)16(11-14)23-5/h10-11,13H,7-9,12H2,1-6H3,(H,19,21).
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 56823979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).