4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide

C22H27NO3 — CID 17475127

IUPAC4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO3/c1-17(2)26-16-6-15-23-22(25)14-13-21(24)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,23,25)
InChIKeyUDQFHYMKDDZVNJ-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.25
Rot. Bonds10

About 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide

4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 17475127) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID17475127
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO3/c1-17(2)26-16-6-15-23-22(25)14-13-21(24)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,23,25)
InChIKeyUDQFHYMKDDZVNJ-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenyl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 108796702
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 58554685
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
CID 43048242
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide (CID 17475127) is 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide is CC(C)OCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is UDQFHYMKDDZVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17(2)26-16-6-15-23-22(25)14-13-21(24)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,23,25).
What are the key properties of 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide?
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 353.46 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 17475127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).