2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide

C14H20N2O3 — CID 60680137

IUPAC2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCOc1cccc(C(=O)CN(CC(N)=O)C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)16(9-14(15)18)8-13(17)11-5-4-6-12(7-11)19-3/h4-7,10H,8-9H2,1-3H3,(H2,15,18)
InChIKeyMCHFJOJCBKQRFA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds7

About 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 60680137) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID60680137
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCOc1cccc(C(=O)CN(CC(N)=O)C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)16(9-14(15)18)8-13(17)11-5-4-6-12(7-11)19-3/h4-7,10H,8-9H2,1-3H3,(H2,15,18)
InChIKeyMCHFJOJCBKQRFA-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491164
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 86909866
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide (CID 60680137) is 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide is COc1cccc(C(=O)CN(CC(N)=O)C(C)C)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is MCHFJOJCBKQRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)16(9-14(15)18)8-13(17)11-5-4-6-12(7-11)19-3/h4-7,10H,8-9H2,1-3H3,(H2,15,18).
What are the key properties of 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 60680137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).