ethane;N-(3-ethylphenyl)-N-methylbutanamide

C15H25NO — CID 143587868

IUPACethane;N-(3-ethylphenyl)-N-methylbutanamide
SMILESCC.CCCC(=O)N(C)c1cccc(CC)c1
InChIInChI=1S/C13H19NO.C2H6/c1-4-7-13(15)14(3)12-9-6-8-11(5-2)10-12;1-2/h6,8-10H,4-5,7H2,1-3H3;1-2H3
InChIKeyZTRWZFQOVABJOL-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.04
Rot. Bonds4

About ethane;N-(3-ethylphenyl)-N-methylbutanamide

ethane;N-(3-ethylphenyl)-N-methylbutanamide (PubChem CID 143587868) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;N-(3-ethylphenyl)-N-methylbutanamide.

Molecular Properties

Compound Nameethane;N-(3-ethylphenyl)-N-methylbutanamide
PubChem CID143587868
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;N-(3-ethylphenyl)-N-methylbutanamide
SMILESCC.CCCC(=O)N(C)c1cccc(CC)c1
InChIInChI=1S/C13H19NO.C2H6/c1-4-7-13(15)14(3)12-9-6-8-11(5-2)10-12;1-2/h6,8-10H,4-5,7H2,1-3H3;1-2H3
InChIKeyZTRWZFQOVABJOL-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
CID 28755982
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
1-(3-ethylphenyl)-1-methylguanidine
CID 19009787
N,3-diethyl-N-methylaniline
CID 131018542
N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide
CID 67593136
3-[[(3-ethylphenyl)-methylcarbamoyl]amino]benzamide
CID 138046134
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethylphenyl)-N-methylbutanamide?
The IUPAC name of ethane;N-(3-ethylphenyl)-N-methylbutanamide (CID 143587868) is ethane;N-(3-ethylphenyl)-N-methylbutanamide.
What is the SMILES notation for ethane;N-(3-ethylphenyl)-N-methylbutanamide?
The canonical SMILES for ethane;N-(3-ethylphenyl)-N-methylbutanamide is CC.CCCC(=O)N(C)c1cccc(CC)c1.
What is the InChIKey of ethane;N-(3-ethylphenyl)-N-methylbutanamide?
The InChIKey is ZTRWZFQOVABJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-4-7-13(15)14(3)12-9-6-8-11(5-2)10-12;1-2/h6,8-10H,4-5,7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(3-ethylphenyl)-N-methylbutanamide?
ethane;N-(3-ethylphenyl)-N-methylbutanamide has a molecular weight of 235.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethylphenyl)-N-methylbutanamide is sourced from PubChem (CID 143587868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).