4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid

C19H21NO4 — CID 22680833

IUPAC4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid
SMILESCCc1ccccc1NC(=O)c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-2-14-6-3-4-7-17(14)20-19(23)15-9-11-16(12-10-15)24-13-5-8-18(21)22/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyVYLHMDQYHOSRHS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.74
Rot. Bonds8

About 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid

4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid (PubChem CID 22680833) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid
PubChem CID22680833
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid
SMILESCCc1ccccc1NC(=O)c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-2-14-6-3-4-7-17(14)20-19(23)15-9-11-16(12-10-15)24-13-5-8-18(21)22/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyVYLHMDQYHOSRHS-UHFFFAOYSA-N
XLogP3.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.74
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-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
4-[2-[[4-[bis(4-ethylphenyl)methoxy]benzoyl]amino]phenoxy]butanoic acid
CID 23045919
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
4-[2-[[4-[[4-(2-methylpropyl)phenyl]methoxy]benzoyl]amino]phenoxy]butanoic acid
CID 14620450

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid (CID 22680833) is 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid is CCc1ccccc1NC(=O)c1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid?
The InChIKey is VYLHMDQYHOSRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-14-6-3-4-7-17(14)20-19(23)15-9-11-16(12-10-15)24-13-5-8-18(21)22/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid?
4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid is sourced from PubChem (CID 22680833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).