6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid

C17H25NO4 — CID 119352357

IUPAC6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid
SMILESCOc1ccccc1C(C)(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C17H25NO4/c1-17(2,13-9-6-7-10-14(13)22-3)16(21)18-12-8-4-5-11-15(19)20/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyYUYWYXCTTJZOFV-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.73
Rot. Bonds9

About 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid

6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid (PubChem CID 119352357) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid
PubChem CID119352357
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid
SMILESCOc1ccccc1C(C)(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C17H25NO4/c1-17(2,13-9-6-7-10-14(13)22-3)16(21)18-12-8-4-5-11-15(19)20/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyYUYWYXCTTJZOFV-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.73
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

N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437890
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437849
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
CID 119227666
6-[[2-(2-tert-butylphenoxy)acetyl]amino]hexanoic acid
CID 53263967
N-(2,2-dimethoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437902
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437898
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid (CID 119352357) is 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid is COc1ccccc1C(C)(C)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid?
The InChIKey is YUYWYXCTTJZOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(2,13-9-6-7-10-14(13)22-3)16(21)18-12-8-4-5-11-15(19)20/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid?
6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid is sourced from PubChem (CID 119352357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).