5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid

C18H25NO5 — CID 82260210

IUPAC5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid
SMILESCCOc1cc(CCCCC(=O)O)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C18H25NO5/c1-2-23-16-12-13(6-3-4-8-17(20)21)9-10-14(16)19-18(22)15-7-5-11-24-15/h9-10,12,15H,2-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyQDQQUGBBBZRXQL-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.00
Rot. Bonds9

About 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid

5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid (PubChem CID 82260210) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid
PubChem CID82260210
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid
SMILESCCOc1cc(CCCCC(=O)O)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C18H25NO5/c1-2-23-16-12-13(6-3-4-8-17(20)21)9-10-14(16)19-18(22)15-7-5-11-24-15/h9-10,12,15H,2-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyQDQQUGBBBZRXQL-UHFFFAOYSA-N
XLogP3.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260265
5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
5-[4-(2,2-dimethylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 95414294
4-[4-(butanoylamino)-3-ethoxyphenyl]butanoic acid
CID 82260151
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
(2S)-N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]oxolane-2-carboxamide
CID 1138798
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259679
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
CID 75392355
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
CID 82260089

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid?
The IUPAC name of 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid (CID 82260210) is 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid.
What is the SMILES notation for 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid?
The canonical SMILES for 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid is CCOc1cc(CCCCC(=O)O)ccc1NC(=O)C1CCCO1.
What is the InChIKey of 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid?
The InChIKey is QDQQUGBBBZRXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-2-23-16-12-13(6-3-4-8-17(20)21)9-10-14(16)19-18(22)15-7-5-11-24-15/h9-10,12,15H,2-8,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid?
5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid has a molecular weight of 335.40 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid is sourced from PubChem (CID 82260210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).