[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate

C21H23NO5 — CID 2603355

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H23NO5/c1-13(2)26-19-10-8-16(9-11-19)21(25)27-15(4)20(24)22-18-7-5-6-17(12-18)14(3)23/h5-13,15H,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyUMDXAUDQWUSLBA-OAHLLOKOSA-N
MW369.42 g/mol
LogP3.86
Rot. Bonds7

About [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate (PubChem CID 2603355) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
PubChem CID2603355
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H23NO5/c1-13(2)26-19-10-8-16(9-11-19)21(25)27-15(4)20(24)22-18-7-5-6-17(12-18)14(3)23/h5-13,15H,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyUMDXAUDQWUSLBA-OAHLLOKOSA-N
XLogP3.86
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate with MolForge

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Related Compounds

[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 6915084
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193392
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7780965
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193006
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
CID 2512753
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 6915148
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7210477
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 41323985
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864581

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate (CID 2603355) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate is CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate?
The InChIKey is UMDXAUDQWUSLBA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13(2)26-19-10-8-16(9-11-19)21(25)27-15(4)20(24)22-18-7-5-6-17(12-18)14(3)23/h5-13,15H,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate has a molecular weight of 369.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 2603355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).