N-(4-oxo-1,4-diphenylbutyl)acetamide

C18H19NO2 — CID 13252857

IUPACN-(4-oxo-1,4-diphenylbutyl)acetamide
SMILESCC(=O)NC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(20)19-17(15-8-4-2-5-9-15)12-13-18(21)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyFHMVQWKMDAMUKC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.53
Rot. Bonds6

About N-(4-oxo-1,4-diphenylbutyl)acetamide

N-(4-oxo-1,4-diphenylbutyl)acetamide (PubChem CID 13252857) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-oxo-1,4-diphenylbutyl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-1,4-diphenylbutyl)acetamide
PubChem CID13252857
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(4-oxo-1,4-diphenylbutyl)acetamide
SMILESCC(=O)NC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(20)19-17(15-8-4-2-5-9-15)12-13-18(21)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyFHMVQWKMDAMUKC-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
4-chloro-1-phenylpentan-1-one
CID 14472970
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
4-amino-1,4-diphenylbutan-1-one
CID 116570833
2,2-dimethyl-N-(3-oxo-1,3-diphenylpropyl)propanamide
CID 11120437
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
4-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-phenylbutanoic acid
CID 119201409

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1,4-diphenylbutyl)acetamide?
The IUPAC name of N-(4-oxo-1,4-diphenylbutyl)acetamide (CID 13252857) is N-(4-oxo-1,4-diphenylbutyl)acetamide.
What is the SMILES notation for N-(4-oxo-1,4-diphenylbutyl)acetamide?
The canonical SMILES for N-(4-oxo-1,4-diphenylbutyl)acetamide is CC(=O)NC(CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-oxo-1,4-diphenylbutyl)acetamide?
The InChIKey is FHMVQWKMDAMUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(20)19-17(15-8-4-2-5-9-15)12-13-18(21)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,20).
What are the key properties of N-(4-oxo-1,4-diphenylbutyl)acetamide?
N-(4-oxo-1,4-diphenylbutyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1,4-diphenylbutyl)acetamide is sourced from PubChem (CID 13252857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).