N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide

C18H28N2O3 — CID 122140471

IUPACN-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CCN(CCO)C(=O)CCC)cc1
InChIInChI=1S/C18H28N2O3/c1-3-5-17(22)19-16-9-7-15(8-10-16)11-12-20(13-14-21)18(23)6-4-2/h7-10,21H,3-6,11-14H2,1-2H3,(H,19,22)
InChIKeyUFWFPZUCONOYKC-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.59
Rot. Bonds10

About N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide

N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide (PubChem CID 122140471) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide
PubChem CID122140471
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CCN(CCO)C(=O)CCC)cc1
InChIInChI=1S/C18H28N2O3/c1-3-5-17(22)19-16-9-7-15(8-10-16)11-12-20(13-14-21)18(23)6-4-2/h7-10,21H,3-6,11-14H2,1-2H3,(H,19,22)
InChIKeyUFWFPZUCONOYKC-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910
N-(4-heptylphenyl)heptanamide
CID 101077737
2-[4-(butanoylamino)phenyl]ethyl formate
CID 87851880
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide (CID 122140471) is N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CCN(CCO)C(=O)CCC)cc1.
What is the InChIKey of N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide?
The InChIKey is UFWFPZUCONOYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-5-17(22)19-16-9-7-15(8-10-16)11-12-20(13-14-21)18(23)6-4-2/h7-10,21H,3-6,11-14H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide?
N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide has a molecular weight of 320.43 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]phenyl]butanamide is sourced from PubChem (CID 122140471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).