N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide

C21H30N2O4 — CID 31471779

IUPACN-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCC(=O)NC2CCCCCC2)c(C(C)=O)c1
InChIInChI=1S/C21H30N2O4/c1-3-8-20(25)23-17-11-12-19(18(13-17)15(2)24)27-14-21(26)22-16-9-6-4-5-7-10-16/h11-13,16H,3-10,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCIGGONJDYBNEEK-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.85
Rot. Bonds8

About N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide

N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide (PubChem CID 31471779) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
PubChem CID31471779
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCC(=O)NC2CCCCCC2)c(C(C)=O)c1
InChIInChI=1S/C21H30N2O4/c1-3-8-20(25)23-17-11-12-19(18(13-17)15(2)24)27-14-21(26)22-16-9-6-4-5-7-10-16/h11-13,16H,3-10,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCIGGONJDYBNEEK-UHFFFAOYSA-N
XLogP3.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 4794961
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787
2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 112774564
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
CID 24581992

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide (CID 31471779) is N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCC(=O)NC2CCCCCC2)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide?
The InChIKey is CIGGONJDYBNEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-3-8-20(25)23-17-11-12-19(18(13-17)15(2)24)27-14-21(26)22-16-9-6-4-5-7-10-16/h11-13,16H,3-10,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide?
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide has a molecular weight of 374.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide is sourced from PubChem (CID 31471779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).