[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate

C22H25NO5 — CID 8526697

IUPAC[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H25NO5/c1-14(2)19-7-5-6-8-20(19)27-13-21(25)28-16(4)22(26)23-18-11-9-17(10-12-18)15(3)24/h5-12,14,16H,13H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyVDBVORDNBUANDF-INIZCTEOSA-N
MW383.44 g/mol
LogP3.96
Rot. Bonds8

About [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 8526697) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
PubChem CID8526697
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H25NO5/c1-14(2)19-7-5-6-8-20(19)27-13-21(25)28-16(4)22(26)23-18-11-9-17(10-12-18)15(3)24/h5-12,14,16H,13H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyVDBVORDNBUANDF-INIZCTEOSA-N
XLogP3.96
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274527
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 7788772
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015315
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850
(2S)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840848
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938441
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7992387
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938407
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7902922
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907753
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate (CID 8526697) is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate is CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)COc2ccccc2C(C)C)cc1.
What is the InChIKey of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is VDBVORDNBUANDF-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25NO5/c1-14(2)19-7-5-6-8-20(19)27-13-21(25)28-16(4)22(26)23-18-11-9-17(10-12-18)15(3)24/h5-12,14,16H,13H2,1-4H3,(H,23,26)/t16-/m0/s1.
What are the key properties of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 383.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8526697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).