ethane;N-(4-methylphenyl)butanamide;molecular hydrogen

C15H29NO — CID 155712374

IUPACethane;N-(4-methylphenyl)butanamide;molecular hydrogen
SMILESCC.CC.CCCC(=O)Nc1ccc(C)cc1.[H][H]
InChIInChI=1S/C11H15NO.2C2H6.H2/c1-3-4-11(13)12-10-7-5-9(2)6-8-10;2*1-2;/h5-8H,3-4H2,1-2H3,(H,12,13);2*1-2H3;1H
InChIKeyITSSCABUZBMHEX-UHFFFAOYSA-N
MW239.40 g/mol
LogP5.03
Rot. Bonds3

About ethane;N-(4-methylphenyl)butanamide;molecular hydrogen

ethane;N-(4-methylphenyl)butanamide;molecular hydrogen (PubChem CID 155712374) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)butanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)butanamide;molecular hydrogen
PubChem CID155712374
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;N-(4-methylphenyl)butanamide;molecular hydrogen
SMILESCC.CC.CCCC(=O)Nc1ccc(C)cc1.[H][H]
InChIInChI=1S/C11H15NO.2C2H6.H2/c1-3-4-11(13)12-10-7-5-9(2)6-8-10;2*1-2;/h5-8H,3-4H2,1-2H3,(H,12,13);2*1-2H3;1H
InChIKeyITSSCABUZBMHEX-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]butanamide
CID 50748313
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)butanamide;molecular hydrogen?
The IUPAC name of ethane;N-(4-methylphenyl)butanamide;molecular hydrogen (CID 155712374) is ethane;N-(4-methylphenyl)butanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(4-methylphenyl)butanamide;molecular hydrogen?
The canonical SMILES for ethane;N-(4-methylphenyl)butanamide;molecular hydrogen is CC.CC.CCCC(=O)Nc1ccc(C)cc1.[H][H].
What is the InChIKey of ethane;N-(4-methylphenyl)butanamide;molecular hydrogen?
The InChIKey is ITSSCABUZBMHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.2C2H6.H2/c1-3-4-11(13)12-10-7-5-9(2)6-8-10;2*1-2;/h5-8H,3-4H2,1-2H3,(H,12,13);2*1-2H3;1H.
What are the key properties of ethane;N-(4-methylphenyl)butanamide;molecular hydrogen?
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen has a molecular weight of 239.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)butanamide;molecular hydrogen is sourced from PubChem (CID 155712374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).