ethane;4-(4-ethylphenyl)butanamide

C14H23NO — CID 142203218

IUPACethane;4-(4-ethylphenyl)butanamide
SMILESCC.CCc1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14;1-2/h6-9H,2-5H2,1H3,(H2,13,14);1-2H3
InChIKeyKZMGRCMLWGSKEB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.08
Rot. Bonds5

About ethane;4-(4-ethylphenyl)butanamide

ethane;4-(4-ethylphenyl)butanamide (PubChem CID 142203218) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;4-(4-ethylphenyl)butanamide.

Molecular Properties

Compound Nameethane;4-(4-ethylphenyl)butanamide
PubChem CID142203218
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;4-(4-ethylphenyl)butanamide
SMILESCC.CCc1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14;1-2/h6-9H,2-5H2,1H3,(H2,13,14);1-2H3
InChIKeyKZMGRCMLWGSKEB-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
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4-(4-tert-butylphenyl)butanamide
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4-(4-methylsulfonylphenyl)butanamide
CID 66848825
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
1-ethyl-4-[3-(4-ethylphenyl)propyl]benzene;methanamine
CID 91443625
ethane;3-(4-methylphenyl)propanamide
CID 142510251
4-(4-sulfamoylphenyl)butanamide
CID 145476026
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
5-(4-methoxyphenyl)pentanamide
CID 134389506
11-(4-fluorophenyl)undecanamide
CID 144640590
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-ethylphenyl)butanamide?
The IUPAC name of ethane;4-(4-ethylphenyl)butanamide (CID 142203218) is ethane;4-(4-ethylphenyl)butanamide.
What is the SMILES notation for ethane;4-(4-ethylphenyl)butanamide?
The canonical SMILES for ethane;4-(4-ethylphenyl)butanamide is CC.CCc1ccc(CCCC(N)=O)cc1.
What is the InChIKey of ethane;4-(4-ethylphenyl)butanamide?
The InChIKey is KZMGRCMLWGSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14;1-2/h6-9H,2-5H2,1H3,(H2,13,14);1-2H3.
What are the key properties of ethane;4-(4-ethylphenyl)butanamide?
ethane;4-(4-ethylphenyl)butanamide has a molecular weight of 221.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-ethylphenyl)butanamide is sourced from PubChem (CID 142203218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).