2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid

C24H25NO5 — CID 24752174

IUPAC2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1cc2ccccc2cc1C(=O)NCCc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C24H25NO5/c1-24(2,23(27)28)30-19-10-8-16(9-11-19)12-13-25-22(26)20-14-17-6-4-5-7-18(17)15-21(20)29-3/h4-11,14-15H,12-13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyAXGXSLGISAZXDZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.06
Rot. Bonds8

About 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid

2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid (PubChem CID 24752174) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
PubChem CID24752174
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1cc2ccccc2cc1C(=O)NCCc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C24H25NO5/c1-24(2,23(27)28)30-19-10-8-16(9-11-19)12-13-25-22(26)20-14-17-6-4-5-7-18(17)15-21(20)29-3/h4-11,14-15H,12-13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyAXGXSLGISAZXDZ-UHFFFAOYSA-N
XLogP4.06
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18225243
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid
CID 58148748
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 22924113
2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid
CID 24752603
4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347543
2-[4-[2-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 21320392
2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25267684
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2-[2,3-dichloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25270136

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid (CID 24752174) is 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid is COc1cc2ccccc2cc1C(=O)NCCc1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is AXGXSLGISAZXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-24(2,23(27)28)30-19-10-8-16(9-11-19)12-13-25-22(26)20-14-17-6-4-5-7-18(17)15-21(20)29-3/h4-11,14-15H,12-13H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid?
2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 407.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 24752174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).