4-(5-amino-2-benzamidophenoxy)butanoic acid

C17H18N2O4 — CID 59419070

IUPAC4-(5-amino-2-benzamidophenoxy)butanoic acid
SMILESNc1ccc(NC(=O)c2ccccc2)c(OCCCC(=O)O)c1
InChIInChI=1S/C17H18N2O4/c18-13-8-9-14(15(11-13)23-10-4-7-16(20)21)19-17(22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,22)(H,20,21)
InChIKeyYGLBUXPYPVQUJR-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.76
Rot. Bonds7

About 4-(5-amino-2-benzamidophenoxy)butanoic acid

4-(5-amino-2-benzamidophenoxy)butanoic acid (PubChem CID 59419070) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(5-amino-2-benzamidophenoxy)butanoic acid.

Molecular Properties

Compound Name4-(5-amino-2-benzamidophenoxy)butanoic acid
PubChem CID59419070
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-(5-amino-2-benzamidophenoxy)butanoic acid
SMILESNc1ccc(NC(=O)c2ccccc2)c(OCCCC(=O)O)c1
InChIInChI=1S/C17H18N2O4/c18-13-8-9-14(15(11-13)23-10-4-7-16(20)21)19-17(22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,22)(H,20,21)
InChIKeyYGLBUXPYPVQUJR-UHFFFAOYSA-N
XLogP2.76
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.76
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

ethyl 4-(2-benzamido-5-nitrophenoxy)butanoate
CID 89048060
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid
CID 139632495
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(5-amino-2-bromophenyl)benzamide
CID 833748
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide
CID 21104163
ethyl 4-[5-amino-2-(benzenesulfonamido)phenoxy]butanoate
CID 59419102
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-benzamidophenoxy)butanoic acid?
The IUPAC name of 4-(5-amino-2-benzamidophenoxy)butanoic acid (CID 59419070) is 4-(5-amino-2-benzamidophenoxy)butanoic acid.
What is the SMILES notation for 4-(5-amino-2-benzamidophenoxy)butanoic acid?
The canonical SMILES for 4-(5-amino-2-benzamidophenoxy)butanoic acid is Nc1ccc(NC(=O)c2ccccc2)c(OCCCC(=O)O)c1.
What is the InChIKey of 4-(5-amino-2-benzamidophenoxy)butanoic acid?
The InChIKey is YGLBUXPYPVQUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c18-13-8-9-14(15(11-13)23-10-4-7-16(20)21)19-17(22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,22)(H,20,21).
What are the key properties of 4-(5-amino-2-benzamidophenoxy)butanoic acid?
4-(5-amino-2-benzamidophenoxy)butanoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-benzamidophenoxy)butanoic acid is sourced from PubChem (CID 59419070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).