N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide

C14H20N2O3 — CID 82101774

IUPACN-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
SMILESCOc1ccc(C(=O)CNCCNC(C)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-8-12(4-5-14(10)19-3)13(18)9-15-6-7-16-11(2)17/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyOGBJUSJKHQDFLQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.91
Rot. Bonds7

About N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide

N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide (PubChem CID 82101774) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
PubChem CID82101774
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
SMILESCOc1ccc(C(=O)CNCCNC(C)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-8-12(4-5-14(10)19-3)13(18)9-15-6-7-16-11(2)17/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyOGBJUSJKHQDFLQ-UHFFFAOYSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 170027016
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
N-[2-[[2-(4-ethylphenyl)-2-oxoethyl]amino]ethyl]acetamide
CID 82104476
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
N-[5-[2-(ethylamino)acetyl]-2-methoxyphenyl]acetamide
CID 98784358
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide (CID 82101774) is N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide is COc1ccc(C(=O)CNCCNC(C)=O)cc1C.
What is the InChIKey of N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide?
The InChIKey is OGBJUSJKHQDFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-8-12(4-5-14(10)19-3)13(18)9-15-6-7-16-11(2)17/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide?
N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide is sourced from PubChem (CID 82101774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).