11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid

C19H27NO6 — CID 18795886

IUPAC11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
SMILESO=C(O)CCCCCCCCCC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C19H27NO6/c21-17(12-6-4-2-1-3-5-7-13-18(22)23)20-15-10-8-9-11-16(15)26-14-19(24)25/h8-11H,1-7,12-14H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeyRKIUIHBOFJNNQJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.68
Rot. Bonds14

About 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid

11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid (PubChem CID 18795886) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid.

Molecular Properties

Compound Name11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
PubChem CID18795886
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
SMILESO=C(O)CCCCCCCCCC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C19H27NO6/c21-17(12-6-4-2-1-3-5-7-13-18(22)23)20-15-10-8-9-11-16(15)26-14-19(24)25/h8-11H,1-7,12-14H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeyRKIUIHBOFJNNQJ-UHFFFAOYSA-N
XLogP3.68
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
2-[2-(pent-4-enoylamino)phenoxy]acetic acid
CID 55242650
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
6-oxo-6-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 43529543
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-(2-ethoxyphenyl)octanamide
CID 4158866

Frequently Asked Questions

What is the IUPAC name of 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid?
The IUPAC name of 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid (CID 18795886) is 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid.
What is the SMILES notation for 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid?
The canonical SMILES for 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid is O=C(O)CCCCCCCCCC(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid?
The InChIKey is RKIUIHBOFJNNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6/c21-17(12-6-4-2-1-3-5-7-13-18(22)23)20-15-10-8-9-11-16(15)26-14-19(24)25/h8-11H,1-7,12-14H2,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid?
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid has a molecular weight of 365.43 g/mol, XLogP of 3.68, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid is sourced from PubChem (CID 18795886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).