methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate

C20H21NO5 — CID 40853713

IUPACmethyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H21NO5/c1-12-6-5-7-17(18(12)20(24)25-4)21-19(23)14(3)26-16-10-8-15(9-11-16)13(2)22/h5-11,14H,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyYQOUJCNOONHDKT-CQSZACIVSA-N
MW355.39 g/mol
LogP3.39
Rot. Bonds6

About methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate

methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate (PubChem CID 40853713) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate
PubChem CID40853713
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H21NO5/c1-12-6-5-7-17(18(12)20(24)25-4)21-19(23)14(3)26-16-10-8-15(9-11-16)13(2)22/h5-11,14H,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyYQOUJCNOONHDKT-CQSZACIVSA-N
XLogP3.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-acetylphenoxy)-N-(2-methylphenyl)propanamide
CID 2621439
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2S)-2-(4-acetylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7763807
(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
CID 1008812
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
N-(4-methoxyphenyl)-4-[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709088
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate?
The IUPAC name of methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate (CID 40853713) is methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate.
What is the SMILES notation for methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate?
The canonical SMILES for methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate is COC(=O)c1c(C)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate?
The InChIKey is YQOUJCNOONHDKT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-6-5-7-17(18(12)20(24)25-4)21-19(23)14(3)26-16-10-8-15(9-11-16)13(2)22/h5-11,14H,1-4H3,(H,21,23)/t14-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate?
methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate has a molecular weight of 355.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-(4-acetylphenoxy)propanoyl]amino]-6-methylbenzoate is sourced from PubChem (CID 40853713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).