2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide

C17H22N2O5 — CID 18093332

IUPAC2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C17H22N2O5/c1-11(20)12-4-7-14(15(8-12)23-3)24-10-17(22)19(2)9-16(21)18-13-5-6-13/h4,7-8,13H,5-6,9-10H2,1-3H3,(H,18,21)
InChIKeyZFWORIMVWRPBCI-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.01
Rot. Bonds8

About 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide

2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 18093332) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
PubChem CID18093332
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C17H22N2O5/c1-11(20)12-4-7-14(15(8-12)23-3)24-10-17(22)19(2)9-16(21)18-13-5-6-13/h4,7-8,13H,5-6,9-10H2,1-3H3,(H,18,21)
InChIKeyZFWORIMVWRPBCI-UHFFFAOYSA-N
XLogP1.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
CID 86910385
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 43572549
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388425
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9416612

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide (CID 18093332) is 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide is COc1cc(C(C)=O)ccc1OCC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is ZFWORIMVWRPBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11(20)12-4-7-14(15(8-12)23-3)24-10-17(22)19(2)9-16(21)18-13-5-6-13/h4,7-8,13H,5-6,9-10H2,1-3H3,(H,18,21).
What are the key properties of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 334.37 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 18093332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).