methyl 2-acetamido-4-ethyl-3-phenylhexanoate

C17H25NO3 — CID 85321757

IUPACmethyl 2-acetamido-4-ethyl-3-phenylhexanoate
SMILESCCC(CC)C(c1ccccc1)C(NC(C)=O)C(=O)OC
InChIInChI=1S/C17H25NO3/c1-5-13(6-2)15(14-10-8-7-9-11-14)16(17(20)21-4)18-12(3)19/h7-11,13,15-16H,5-6H2,1-4H3,(H,18,19)
InChIKeyNRNLFDWOYMWQEG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.88
Rot. Bonds7

About methyl 2-acetamido-4-ethyl-3-phenylhexanoate

methyl 2-acetamido-4-ethyl-3-phenylhexanoate (PubChem CID 85321757) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-acetamido-4-ethyl-3-phenylhexanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-ethyl-3-phenylhexanoate
PubChem CID85321757
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-acetamido-4-ethyl-3-phenylhexanoate
SMILESCCC(CC)C(c1ccccc1)C(NC(C)=O)C(=O)OC
InChIInChI=1S/C17H25NO3/c1-5-13(6-2)15(14-10-8-7-9-11-14)16(17(20)21-4)18-12(3)19/h7-11,13,15-16H,5-6H2,1-4H3,(H,18,19)
InChIKeyNRNLFDWOYMWQEG-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-3-(1-phenylpropylamino)propanoate
CID 103248077
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl (2S,3R)-2-acetamido-3-(4-chlorophenyl)-3-phenylpropanoate
CID 162402185
methyl (E,2R,3S)-2-acetamido-3-ethyl-5-phenylpent-4-enoate
CID 15408383
methyl (2S,3R)-2-acetamido-3-(3,5-dimethylphenyl)-3-phenylpropanoate
CID 162402186
(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium
CID 11202417
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
2-acetamido-3-phenylbutanoic acid
CID 14036079
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
iodo (2S)-2-acetamido-3,3-diphenylpropanoate
CID 71157031
methyl (2S)-2-[(benzhydrylamino)methyl]butanoate
CID 171614012
4-ethyl-3-phenylhexan-2-ol
CID 135184809

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-ethyl-3-phenylhexanoate?
The IUPAC name of methyl 2-acetamido-4-ethyl-3-phenylhexanoate (CID 85321757) is methyl 2-acetamido-4-ethyl-3-phenylhexanoate.
What is the SMILES notation for methyl 2-acetamido-4-ethyl-3-phenylhexanoate?
The canonical SMILES for methyl 2-acetamido-4-ethyl-3-phenylhexanoate is CCC(CC)C(c1ccccc1)C(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-4-ethyl-3-phenylhexanoate?
The InChIKey is NRNLFDWOYMWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-13(6-2)15(14-10-8-7-9-11-14)16(17(20)21-4)18-12(3)19/h7-11,13,15-16H,5-6H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-acetamido-4-ethyl-3-phenylhexanoate?
methyl 2-acetamido-4-ethyl-3-phenylhexanoate has a molecular weight of 291.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-ethyl-3-phenylhexanoate is sourced from PubChem (CID 85321757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).