4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid

C23H23NO4 — CID 143212332

IUPAC4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid
SMILESCCc1ccccc1OCCC(NC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C23H23NO4/c1-2-16-7-5-6-10-21(16)28-14-13-20(23(26)27)24-22(25)19-12-11-17-8-3-4-9-18(17)15-19/h3-12,15,20H,2,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyDPEFSCLKXQULDS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.05
Rot. Bonds8

About 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid

4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid (PubChem CID 143212332) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid
PubChem CID143212332
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid
SMILESCCc1ccccc1OCCC(NC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C23H23NO4/c1-2-16-7-5-6-10-21(16)28-14-13-20(23(26)27)24-22(25)19-12-11-17-8-3-4-9-18(17)15-19/h3-12,15,20H,2,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyDPEFSCLKXQULDS-UHFFFAOYSA-N
XLogP4.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
CID 121414201
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid?
The IUPAC name of 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid (CID 143212332) is 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid?
The canonical SMILES for 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid is CCc1ccccc1OCCC(NC(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid?
The InChIKey is DPEFSCLKXQULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-2-16-7-5-6-10-21(16)28-14-13-20(23(26)27)24-22(25)19-12-11-17-8-3-4-9-18(17)15-19/h3-12,15,20H,2,13-14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid?
4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid has a molecular weight of 377.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 143212332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).