methyl 2-(7-phenylheptanoylamino)acetate

C16H23NO3 — CID 44563078

IUPACmethyl 2-(7-phenylheptanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCCCCCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)13-17-15(18)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3,(H,17,18)
InChIKeyDXZORDCSJPXFBF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds9

About methyl 2-(7-phenylheptanoylamino)acetate

methyl 2-(7-phenylheptanoylamino)acetate (PubChem CID 44563078) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-(7-phenylheptanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(7-phenylheptanoylamino)acetate
PubChem CID44563078
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-(7-phenylheptanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCCCCCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)13-17-15(18)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3,(H,17,18)
InChIKeyDXZORDCSJPXFBF-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
2-oxo-3-(6-phenylhexanoylamino)propanoic acid
CID 59565788
N-ethyl-6-phenylhexanamide
CID 70953257
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
N-methyl-9-phenylnonanamide
CID 118028570
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
CID 154978899
N-(4-phenylbutyl)hexanamide
CID 4985988
2-[2-(4-phenylbutanoylamino)acetyl]oxyethyl 2-(4-phenylbutanoylamino)propanoate
CID 146190363

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-phenylheptanoylamino)acetate?
The IUPAC name of methyl 2-(7-phenylheptanoylamino)acetate (CID 44563078) is methyl 2-(7-phenylheptanoylamino)acetate.
What is the SMILES notation for methyl 2-(7-phenylheptanoylamino)acetate?
The canonical SMILES for methyl 2-(7-phenylheptanoylamino)acetate is COC(=O)CNC(=O)CCCCCCc1ccccc1.
What is the InChIKey of methyl 2-(7-phenylheptanoylamino)acetate?
The InChIKey is DXZORDCSJPXFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-16(19)13-17-15(18)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3,(H,17,18).
What are the key properties of methyl 2-(7-phenylheptanoylamino)acetate?
methyl 2-(7-phenylheptanoylamino)acetate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-phenylheptanoylamino)acetate is sourced from PubChem (CID 44563078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).