[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate

C20H23NO4 — CID 7211590

IUPAC[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-13-24-18-11-7-16(8-12-18)20(23)25-15(3)19(22)21-17-9-5-14(2)6-10-17/h5-12,15H,4,13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySZAZDSNCIPVUOQ-OAHLLOKOSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds7

About [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate (PubChem CID 7211590) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
PubChem CID7211590
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-13-24-18-11-7-16(8-12-18)20(23)25-15(3)19(22)21-17-9-5-14(2)6-10-17/h5-12,15H,4,13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySZAZDSNCIPVUOQ-OAHLLOKOSA-N
XLogP3.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 8736375
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211491
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42966115
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
CID 7211739
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 8736404
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 8736406
(1-anilino-1-oxopropan-2-yl) 4-hexoxybenzoate
CID 5078511
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate
CID 7904130
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-methylbenzoate
CID 7972023

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate?
The IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate (CID 7211590) is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate.
What is the SMILES notation for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate?
The canonical SMILES for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate is CCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate?
The InChIKey is SZAZDSNCIPVUOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-13-24-18-11-7-16(8-12-18)20(23)25-15(3)19(22)21-17-9-5-14(2)6-10-17/h5-12,15H,4,13H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate?
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate is sourced from PubChem (CID 7211590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).