7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid

C17H25NO4 — CID 119227666

IUPAC7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
SMILESCOC(C)(C(=O)NCCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-17(22-2,14-10-6-5-7-11-14)16(21)18-13-9-4-3-8-12-15(19)20/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIOBYYTYMXNUDTQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.70
Rot. Bonds10

About 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid

7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid (PubChem CID 119227666) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
PubChem CID119227666
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
SMILESCOC(C)(C(=O)NCCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-17(22-2,14-10-6-5-7-11-14)16(21)18-13-9-4-3-8-12-15(19)20/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIOBYYTYMXNUDTQ-UHFFFAOYSA-N
XLogP2.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid
CID 119352357
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
2-methoxy-2-phenylpropanehydrazide
CID 138489021
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
6-(methoxycarbonylamino)hexanoic acid
CID 22382374

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid (CID 119227666) is 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid is COC(C)(C(=O)NCCCCCCC(=O)O)c1ccccc1.
What is the InChIKey of 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid?
The InChIKey is IOBYYTYMXNUDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(22-2,14-10-6-5-7-11-14)16(21)18-13-9-4-3-8-12-15(19)20/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid?
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid is sourced from PubChem (CID 119227666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).