2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide

C21H25ClN2O3 — CID 113158789

IUPAC2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
SMILESCCCCN(CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-3-4-13-24(16(2)25)14-21(26)23-19-9-11-20(12-10-19)27-15-17-5-7-18(22)8-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyFNURYTMHYPTZEK-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.51
Rot. Bonds9

About 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide

2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide (PubChem CID 113158789) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
PubChem CID113158789
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
SMILESCCCCN(CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-3-4-13-24(16(2)25)14-21(26)23-19-9-11-20(12-10-19)27-15-17-5-7-18(22)8-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyFNURYTMHYPTZEK-UHFFFAOYSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113158667
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
CID 113160867

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide (CID 113158789) is 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide is CCCCN(CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide?
The InChIKey is FNURYTMHYPTZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-3-4-13-24(16(2)25)14-21(26)23-19-9-11-20(12-10-19)27-15-17-5-7-18(22)8-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide?
2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 113158789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).