[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate

C24H29NO6 — CID 8619432

IUPAC[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC
InChIInChI=1S/C24H29NO6/c1-6-30-14-19-13-18(9-12-21(19)29-5)24(28)31-16(4)22(26)17-7-10-20(11-8-17)25-23(27)15(2)3/h7-13,15-16H,6,14H2,1-5H3,(H,25,27)/t16-/m1/s1
InChIKeyHEISNKXHCHSIKY-MRXNPFEDSA-N
MW427.50 g/mol
LogP4.25
Rot. Bonds10

About [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate

[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate (PubChem CID 8619432) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
PubChem CID8619432
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC
InChIInChI=1S/C24H29NO6/c1-6-30-14-19-13-18(9-12-21(19)29-5)24(28)31-16(4)22(26)17-7-10-20(11-8-17)25-23(27)15(2)3/h7-13,15-16H,6,14H2,1-5H3,(H,25,27)/t16-/m1/s1
InChIKeyHEISNKXHCHSIKY-MRXNPFEDSA-N
XLogP4.25
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619428
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619600
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619677
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 46626710
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619753
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619692
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619062
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7903241
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619541
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618837
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 9455625
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416046

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate?
The IUPAC name of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate (CID 8619432) is [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate.
What is the SMILES notation for [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate?
The canonical SMILES for [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate is CCOCc1cc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC.
What is the InChIKey of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate?
The InChIKey is HEISNKXHCHSIKY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29NO6/c1-6-30-14-19-13-18(9-12-21(19)29-5)24(28)31-16(4)22(26)17-7-10-20(11-8-17)25-23(27)15(2)3/h7-13,15-16H,6,14H2,1-5H3,(H,25,27)/t16-/m1/s1.
What are the key properties of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate?
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate has a molecular weight of 427.50 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate is sourced from PubChem (CID 8619432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).