N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide

C18H30N2O4 — CID 112506945

IUPACN-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1cc(C(CNC(=O)CC(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C18H30N2O4/c1-12(2)8-17(21)19-11-14(20(3)4)13-9-15(22-5)18(24-7)16(10-13)23-6/h9-10,12,14H,8,11H2,1-7H3,(H,19,21)
InChIKeyDWQJPQOHLGVJKD-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.48
Rot. Bonds9

About N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide

N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 112506945) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide
PubChem CID112506945
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1cc(C(CNC(=O)CC(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C18H30N2O4/c1-12(2)8-17(21)19-11-14(20(3)4)13-9-15(22-5)18(24-7)16(10-13)23-6/h9-10,12,14H,8,11H2,1-7H3,(H,19,21)
InChIKeyDWQJPQOHLGVJKD-UHFFFAOYSA-N
XLogP2.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110304317
5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene
CID 112506990
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 110624051
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8916173
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
CID 113156834
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide (CID 112506945) is N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide is COc1cc(C(CNC(=O)CC(C)C)N(C)C)cc(OC)c1OC.
What is the InChIKey of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is DWQJPQOHLGVJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-12(2)8-17(21)19-11-14(20(3)4)13-9-15(22-5)18(24-7)16(10-13)23-6/h9-10,12,14H,8,11H2,1-7H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide?
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 112506945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).