N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide

C23H29NO2 — CID 69331432

IUPACN-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc(C(=O)C(CC)CC)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-4-7-8-22(25)24-21-15-13-19(14-16-21)18-9-11-20(12-10-18)23(26)17(5-2)6-3/h9-17H,4-8H2,1-3H3,(H,24,25)
InChIKeyWIVSQZAPQKMCQD-UHFFFAOYSA-N
MW351.49 g/mol
LogP6.10
Rot. Bonds9

About N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide

N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide (PubChem CID 69331432) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide
PubChem CID69331432
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc(C(=O)C(CC)CC)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-4-7-8-22(25)24-21-15-13-19(14-16-21)18-9-11-20(12-10-18)23(26)17(5-2)6-3/h9-17H,4-8H2,1-3H3,(H,24,25)
InChIKeyWIVSQZAPQKMCQD-UHFFFAOYSA-N
XLogP6.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide 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

N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-methylphenyl)pentanamide
CID 3662375
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
N-[4-(4-thionitrosophenyl)phenyl]pentanamide
CID 118636372
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
CID 143185274
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide?
The IUPAC name of N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide (CID 69331432) is N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccc(C(=O)C(CC)CC)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide?
The InChIKey is WIVSQZAPQKMCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-4-7-8-22(25)24-21-15-13-19(14-16-21)18-9-11-20(12-10-18)23(26)17(5-2)6-3/h9-17H,4-8H2,1-3H3,(H,24,25).
What are the key properties of N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide?
N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide has a molecular weight of 351.49 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide is sourced from PubChem (CID 69331432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).