3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide

C20H22N2O4 — CID 55733850

IUPAC3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
SMILESCOc1ccc(CN(C(=O)COc2cccc(C(N)=O)c2)C2CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-9-5-14(6-10-17)12-22(16-7-8-16)19(23)13-26-18-4-2-3-15(11-18)20(21)24/h2-6,9-11,16H,7-8,12-13H2,1H3,(H2,21,24)
InChIKeyGDNMYBBXRNBYJF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.36
Rot. Bonds8

About 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide

3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide (PubChem CID 55733850) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
PubChem CID55733850
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
SMILESCOc1ccc(CN(C(=O)COc2cccc(C(N)=O)c2)C2CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-9-5-14(6-10-17)12-22(16-7-8-16)19(23)13-26-18-4-2-3-15(11-18)20(21)24/h2-6,9-11,16H,7-8,12-13H2,1H3,(H2,21,24)
InChIKeyGDNMYBBXRNBYJF-UHFFFAOYSA-N
XLogP2.36
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26378786
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 18201286
N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide
CID 166240421
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7986144
methyl 2-[3-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetate
CID 55873499
2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 46828930

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide (CID 55733850) is 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide is COc1ccc(CN(C(=O)COc2cccc(C(N)=O)c2)C2CC2)cc1.
What is the InChIKey of 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is GDNMYBBXRNBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-9-5-14(6-10-17)12-22(16-7-8-16)19(23)13-26-18-4-2-3-15(11-18)20(21)24/h2-6,9-11,16H,7-8,12-13H2,1H3,(H2,21,24).
What are the key properties of 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide?
3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 55733850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).