2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid

C26H29NO5 — CID 24769071

IUPAC2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid
SMILESCC(C)CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(=O)O
InChIInChI=1S/C26H29NO5/c1-18(2)17-26(3,25(29)30)27-24(28)22-14-13-19-9-7-8-12-21(19)23(22)32-16-15-31-20-10-5-4-6-11-20/h4-14,18H,15-17H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyANNXRMWDEFSBDZ-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.92
Rot. Bonds10

About 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid

2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid (PubChem CID 24769071) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid
PubChem CID24769071
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid
SMILESCC(C)CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(=O)O
InChIInChI=1S/C26H29NO5/c1-18(2)17-26(3,25(29)30)27-24(28)22-14-13-19-9-7-8-12-21(19)23(22)32-16-15-31-20-10-5-4-6-11-20/h4-14,18H,15-17H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyANNXRMWDEFSBDZ-UHFFFAOYSA-N
XLogP4.92
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.92
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid (CID 24769071) is 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid is CC(C)CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid?
The InChIKey is ANNXRMWDEFSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-18(2)17-26(3,25(29)30)27-24(28)22-14-13-19-9-7-8-12-21(19)23(22)32-16-15-31-20-10-5-4-6-11-20/h4-14,18H,15-17H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid?
2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid has a molecular weight of 435.52 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[[1-(2-phenoxyethoxy)naphthalene-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 24769071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).