2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide

C40H48N2O4 — CID 17233430

IUPAC2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCCCCCCNC(=O)C(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H48N2O4/c1-3-37(45-35-25-21-33(22-26-35)31-17-11-9-12-18-31)39(43)41-29-15-7-5-6-8-16-30-42-40(44)38(4-2)46-36-27-23-34(24-28-36)32-19-13-10-14-20-32/h9-14,17-28,37-38H,3-8,15-16,29-30H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyMLMHQOUNGHIBSY-UHFFFAOYSA-N
MW620.83 g/mol
LogP8.61
Rot. Bonds19

About 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide

2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide (PubChem CID 17233430) has the molecular formula C40H48N2O4 and a molecular weight of 620.83 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
PubChem CID17233430
Molecular FormulaC40H48N2O4
Molecular Weight620.83 g/mol
Exact Mass620.36
IUPAC Name2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCCCCCCNC(=O)C(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H48N2O4/c1-3-37(45-35-25-21-33(22-26-35)31-17-11-9-12-18-31)39(43)41-29-15-7-5-6-8-16-30-42-40(44)38(4-2)46-36-27-23-34(24-28-36)32-19-13-10-14-20-32/h9-14,17-28,37-38H,3-8,15-16,29-30H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyMLMHQOUNGHIBSY-UHFFFAOYSA-N
XLogP8.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.83
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide (CID 17233430) is 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCCCCCCNC(=O)C(CC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide?
The InChIKey is MLMHQOUNGHIBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N2O4/c1-3-37(45-35-25-21-33(22-26-35)31-17-11-9-12-18-31)39(43)41-29-15-7-5-6-8-16-30-42-40(44)38(4-2)46-36-27-23-34(24-28-36)32-19-13-10-14-20-32/h9-14,17-28,37-38H,3-8,15-16,29-30H2,1-2H3,(H,41,43)(H,42,44).
What are the key properties of 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide?
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide has a molecular weight of 620.83 g/mol, XLogP of 8.61, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide is sourced from PubChem (CID 17233430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).