[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate

C23H26N2O5 — CID 55378833

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OC(C)C(=O)Nc1cccc(C(C)=O)c1)c1ccc(C)cc1
InChIInChI=1S/C23H26N2O5/c1-14-8-10-18(11-9-14)21(24-17(4)27)13-22(28)30-16(3)23(29)25-20-7-5-6-19(12-20)15(2)26/h5-12,16,21H,13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyNFPYREBJUHLJQW-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.34
Rot. Bonds8

About [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate

[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate (PubChem CID 55378833) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate
PubChem CID55378833
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OC(C)C(=O)Nc1cccc(C(C)=O)c1)c1ccc(C)cc1
InChIInChI=1S/C23H26N2O5/c1-14-8-10-18(11-9-14)21(24-17(4)27)13-22(28)30-16(3)23(29)25-20-7-5-6-19(12-20)15(2)26/h5-12,16,21H,13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyNFPYREBJUHLJQW-UHFFFAOYSA-N
XLogP3.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate with MolForge

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Related Compounds

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
CID 7147708
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7847996
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 7853365
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
CID 46420486
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790319
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 6915148
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate
CID 154775288
propan-2-yl 3-(4-methylphenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 46411380
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654441
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 46790161
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate (CID 55378833) is [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate is CC(=O)NC(CC(=O)OC(C)C(=O)Nc1cccc(C(C)=O)c1)c1ccc(C)cc1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate?
The InChIKey is NFPYREBJUHLJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14-8-10-18(11-9-14)21(24-17(4)27)13-22(28)30-16(3)23(29)25-20-7-5-6-19(12-20)15(2)26/h5-12,16,21H,13H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate?
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate has a molecular weight of 410.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55378833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).