N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide

C19H28N2O4 — CID 136577101

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC
InChIInChI=1S/C19H28N2O4/c1-14(15-9-10-16(24-2)17(12-15)25-3)20-18(22)13-21-11-7-5-4-6-8-19(21)23/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,20,22)
InChIKeyGLJXTPVISPMXHL-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.67
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 136577101) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
PubChem CID136577101
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC
InChIInChI=1S/C19H28N2O4/c1-14(15-9-10-16(24-2)17(12-15)25-3)20-18(22)13-21-11-7-5-4-6-8-19(21)23/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,20,22)
InChIKeyGLJXTPVISPMXHL-UHFFFAOYSA-N
XLogP2.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890755
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856148
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate
CID 8573078
1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212285
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728004
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide (CID 136577101) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide is COc1ccc(C(C)NC(=O)CN2CCCCCCC2=O)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is GLJXTPVISPMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(15-9-10-16(24-2)17(12-15)25-3)20-18(22)13-21-11-7-5-4-6-8-19(21)23/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 136577101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).