methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate

C19H22N2O4 — CID 94537725

IUPACmethyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
SMILESCOC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-12-5-6-13(2)17(11-12)21-18(22)14(3)25-16-9-7-15(8-10-16)20-19(23)24-4/h5-11,14H,1-4H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyZHKGQASYUAIJPJ-CQSZACIVSA-N
MW342.40 g/mol
LogP3.89
Rot. Bonds5

About methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate

methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate (PubChem CID 94537725) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
PubChem CID94537725
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
SMILESCOC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-12-5-6-13(2)17(11-12)21-18(22)14(3)25-16-9-7-15(8-10-16)20-19(23)24-4/h5-11,14H,1-4H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyZHKGQASYUAIJPJ-CQSZACIVSA-N
XLogP3.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
methyl 3-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548597
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9383782
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 46619200
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
The IUPAC name of methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate (CID 94537725) is methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate is COC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
The InChIKey is ZHKGQASYUAIJPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-5-6-13(2)17(11-12)21-18(22)14(3)25-16-9-7-15(8-10-16)20-19(23)24-4/h5-11,14H,1-4H3,(H,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate is sourced from PubChem (CID 94537725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).