methyl 5-benzamido-4-oxo-6-phenylhexanoate

C20H21NO4 — CID 12854251

IUPACmethyl 5-benzamido-4-oxo-6-phenylhexanoate
SMILESCOC(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-25-19(23)13-12-18(22)17(14-15-8-4-2-5-9-15)21-20(24)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,21,24)
InChIKeyHYBARONTDNEPOW-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.55
Rot. Bonds8

About methyl 5-benzamido-4-oxo-6-phenylhexanoate

methyl 5-benzamido-4-oxo-6-phenylhexanoate (PubChem CID 12854251) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 5-benzamido-4-oxo-6-phenylhexanoate.

Molecular Properties

Compound Namemethyl 5-benzamido-4-oxo-6-phenylhexanoate
PubChem CID12854251
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 5-benzamido-4-oxo-6-phenylhexanoate
SMILESCOC(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-25-19(23)13-12-18(22)17(14-15-8-4-2-5-9-15)21-20(24)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,21,24)
InChIKeyHYBARONTDNEPOW-UHFFFAOYSA-N
XLogP2.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]oxy-3-(dimethylamino)propanoic acid
CID 54354647
4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid
CID 70519317
3-[1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]oxycyclohexyl]propanoic acid
CID 70079005
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid
CID 70554504
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
methyl (3S)-3-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-4-(4-hydroxyphenyl)butanoate
CID 70965829
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
hexyl 2-benzamido-3-phenylpropanoate
CID 569464

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzamido-4-oxo-6-phenylhexanoate?
The IUPAC name of methyl 5-benzamido-4-oxo-6-phenylhexanoate (CID 12854251) is methyl 5-benzamido-4-oxo-6-phenylhexanoate.
What is the SMILES notation for methyl 5-benzamido-4-oxo-6-phenylhexanoate?
The canonical SMILES for methyl 5-benzamido-4-oxo-6-phenylhexanoate is COC(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of methyl 5-benzamido-4-oxo-6-phenylhexanoate?
The InChIKey is HYBARONTDNEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-25-19(23)13-12-18(22)17(14-15-8-4-2-5-9-15)21-20(24)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,21,24).
What are the key properties of methyl 5-benzamido-4-oxo-6-phenylhexanoate?
methyl 5-benzamido-4-oxo-6-phenylhexanoate has a molecular weight of 339.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzamido-4-oxo-6-phenylhexanoate is sourced from PubChem (CID 12854251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).