4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide

C21H25NO3 — CID 134045511

IUPAC4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-15(2)25-19-11-9-17(10-12-19)16(3)22-21(24)14-13-20(23)18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,22,24)
InChIKeyUUVHACOZTOFMBN-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.31
Rot. Bonds8

About 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide

4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 134045511) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID134045511
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-15(2)25-19-11-9-17(10-12-19)16(3)22-21(24)14-13-20(23)18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,22,24)
InChIKeyUUVHACOZTOFMBN-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
CID 8866306
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
CID 113129840
N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845447
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 55580848
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
4-phenyl-N-[(1R)-1-phenylethyl]pent-4-enamide
CID 101165236
2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide (CID 134045511) is 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide is CC(C)Oc1ccc(C(C)NC(=O)CCC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is UUVHACOZTOFMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15(2)25-19-11-9-17(10-12-19)16(3)22-21(24)14-13-20(23)18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,22,24).
What are the key properties of 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide?
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 134045511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).