11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid

C21H34N2O4 — CID 84555646

IUPAC11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
SMILESNc1ccccc1OCCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C21H34N2O4/c22-18-12-8-9-13-19(18)27-17-11-14-20(24)23-16-10-6-4-2-1-3-5-7-15-21(25)26/h8-9,12-13H,1-7,10-11,14-17,22H2,(H,23,24)(H,25,26)
InChIKeyUUIFOMBDRQHNJY-UHFFFAOYSA-N
MW378.51 g/mol
LogP4.14
Rot. Bonds16

About 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid

11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid (PubChem CID 84555646) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid.

Molecular Properties

Compound Name11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
PubChem CID84555646
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
SMILESNc1ccccc1OCCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C21H34N2O4/c22-18-12-8-9-13-19(18)27-17-11-14-20(24)23-16-10-6-4-2-1-3-5-7-15-21(25)26/h8-9,12-13H,1-7,10-11,14-17,22H2,(H,23,24)(H,25,26)
InChIKeyUUIFOMBDRQHNJY-UHFFFAOYSA-N
XLogP4.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
6-[2-(5-carboxypentoxy)anilino]hexanoic acid
CID 69475364
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid?
The IUPAC name of 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid (CID 84555646) is 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid.
What is the SMILES notation for 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid?
The canonical SMILES for 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid is Nc1ccccc1OCCCC(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid?
The InChIKey is UUIFOMBDRQHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c22-18-12-8-9-13-19(18)27-17-11-14-20(24)23-16-10-6-4-2-1-3-5-7-15-21(25)26/h8-9,12-13H,1-7,10-11,14-17,22H2,(H,23,24)(H,25,26).
What are the key properties of 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid?
11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid has a molecular weight of 378.51 g/mol, XLogP of 4.14, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid is sourced from PubChem (CID 84555646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).