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

C17H23NO4 — CID 7847996

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCC(C)C)c1
InChIInChI=1S/C17H23NO4/c1-11(2)8-9-16(20)22-13(4)17(21)18-15-7-5-6-14(10-15)12(3)19/h5-7,10-11,13H,8-9H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyKIYZMMWQMQURIV-CYBMUJFWSA-N
MW305.37 g/mol
LogP3.20
Rot. Bonds7

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

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate (PubChem CID 7847996) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
PubChem CID7847996
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCC(C)C)c1
InChIInChI=1S/C17H23NO4/c1-11(2)8-9-16(20)22-13(4)17(21)18-15-7-5-6-14(10-15)12(3)19/h5-7,10-11,13H,8-9H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyKIYZMMWQMQURIV-CYBMUJFWSA-N
XLogP3.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790319
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654441
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2458958
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764174
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-bromophenyl)-4-oxobutanoate
CID 55306348
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750150
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
CID 7147708
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 46814821
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 46790161
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524359
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227088

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate (CID 7847996) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate is CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCC(C)C)c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate?
The InChIKey is KIYZMMWQMQURIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(2)8-9-16(20)22-13(4)17(21)18-15-7-5-6-14(10-15)12(3)19/h5-7,10-11,13H,8-9H2,1-4H3,(H,18,21)/t13-/m1/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate has a molecular weight of 305.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate is sourced from PubChem (CID 7847996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).