ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide

C15H23NO2 — CID 172566048

IUPACethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
SMILESCC.CCC(=O)Nc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C13H17NO2.C2H6/c1-4-12(15)14-11-7-5-10(6-8-11)13(16)9(2)3;1-2/h5-9H,4H2,1-3H3,(H,14,15);1-2H3
InChIKeyDLWJFGNIEGDFIO-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.90
Rot. Bonds4

About ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide

ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide (PubChem CID 172566048) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide.

Molecular Properties

Compound Nameethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
PubChem CID172566048
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
SMILESCC.CCC(=O)Nc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C13H17NO2.C2H6/c1-4-12(15)14-11-7-5-10(6-8-11)13(16)9(2)3;1-2/h5-9H,4H2,1-3H3,(H,14,15);1-2H3
InChIKeyDLWJFGNIEGDFIO-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
N-[4-(2-bromobutanoyl)phenyl]propanamide
CID 82136336
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
6-methyl-N-[4-(2-methylpropanoyl)phenyl]heptanamide
CID 168735122
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide?
The IUPAC name of ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide (CID 172566048) is ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide.
What is the SMILES notation for ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide?
The canonical SMILES for ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide is CC.CCC(=O)Nc1ccc(C(=O)C(C)C)cc1.
What is the InChIKey of ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide?
The InChIKey is DLWJFGNIEGDFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6/c1-4-12(15)14-11-7-5-10(6-8-11)13(16)9(2)3;1-2/h5-9H,4H2,1-3H3,(H,14,15);1-2H3.
What are the key properties of ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide?
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide is sourced from PubChem (CID 172566048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).