N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol

C17H30N2O4 — CID 142207459

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol
SMILESCCCC(NC)C(=O)NCCc1ccc(OC)c(OC)c1.CO
InChIInChI=1S/C16H26N2O3.CH4O/c1-5-6-13(17-2)16(19)18-10-9-12-7-8-14(20-3)15(11-12)21-4;1-2/h7-8,11,13,17H,5-6,9-10H2,1-4H3,(H,18,19);2H,1H3
InChIKeyYZQJOIZTJYUZRH-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.36
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol (PubChem CID 142207459) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol
PubChem CID142207459
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol
SMILESCCCC(NC)C(=O)NCCc1ccc(OC)c(OC)c1.CO
InChIInChI=1S/C16H26N2O3.CH4O/c1-5-6-13(17-2)16(19)18-10-9-12-7-8-14(20-3)15(11-12)21-4;1-2/h7-8,11,13,17H,5-6,9-10H2,1-4H3,(H,18,19);2H,1H3
InChIKeyYZQJOIZTJYUZRH-UHFFFAOYSA-N
XLogP1.36
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
CID 42702912
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
CID 43087369
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide
CID 165352389
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 162388053
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
pentan-2-yl (E)-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoate
CID 91724096

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol (CID 142207459) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol is CCCC(NC)C(=O)NCCc1ccc(OC)c(OC)c1.CO.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol?
The InChIKey is YZQJOIZTJYUZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.CH4O/c1-5-6-13(17-2)16(19)18-10-9-12-7-8-14(20-3)15(11-12)21-4;1-2/h7-8,11,13,17H,5-6,9-10H2,1-4H3,(H,18,19);2H,1H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol has a molecular weight of 326.44 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol is sourced from PubChem (CID 142207459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).