ethane;3-(4-methylphenyl)propanamide

C12H19NO — CID 142510251

IUPACethane;3-(4-methylphenyl)propanamide
SMILESCC.Cc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C10H13NO.C2H6/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-2/h2-5H,6-7H2,1H3,(H2,11,12);1-2H3
InChIKeySZIZPAMMULAMJW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.44
Rot. Bonds3

About ethane;3-(4-methylphenyl)propanamide

ethane;3-(4-methylphenyl)propanamide (PubChem CID 142510251) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Nameethane;3-(4-methylphenyl)propanamide
PubChem CID142510251
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;3-(4-methylphenyl)propanamide
SMILESCC.Cc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C10H13NO.C2H6/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-2/h2-5H,6-7H2,1H3,(H2,11,12);1-2H3
InChIKeySZIZPAMMULAMJW-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
ethane;1-(4-methylphenyl)hexan-3-one
CID 143103433
N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide
CID 112551081
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483
carbonic acid;3-phenylpropanamide
CID 174965682
5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 43358715
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
N'-amino-3-(4-methylphenyl)propanimidamide
CID 62503804

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylphenyl)propanamide?
The IUPAC name of ethane;3-(4-methylphenyl)propanamide (CID 142510251) is ethane;3-(4-methylphenyl)propanamide.
What is the SMILES notation for ethane;3-(4-methylphenyl)propanamide?
The canonical SMILES for ethane;3-(4-methylphenyl)propanamide is CC.Cc1ccc(CCC(N)=O)cc1.
What is the InChIKey of ethane;3-(4-methylphenyl)propanamide?
The InChIKey is SZIZPAMMULAMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-2/h2-5H,6-7H2,1H3,(H2,11,12);1-2H3.
What are the key properties of ethane;3-(4-methylphenyl)propanamide?
ethane;3-(4-methylphenyl)propanamide has a molecular weight of 193.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylphenyl)propanamide is sourced from PubChem (CID 142510251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).