ethane;N-(4-methylphenyl)formamide

C12H21NO — CID 142066401

IUPACethane;N-(4-methylphenyl)formamide
SMILESCC.CC.Cc1ccc(NC=O)cc1
InChIInChI=1S/C8H9NO.2C2H6/c1-7-2-4-8(5-3-7)9-6-10;2*1-2/h2-6H,1H3,(H,9,10);2*1-2H3
InChIKeyVEZQFDHWNRUAEF-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.62
Rot. Bonds2

About ethane;N-(4-methylphenyl)formamide

ethane;N-(4-methylphenyl)formamide (PubChem CID 142066401) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)formamide.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)formamide
PubChem CID142066401
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;N-(4-methylphenyl)formamide
SMILESCC.CC.Cc1ccc(NC=O)cc1
InChIInChI=1S/C8H9NO.2C2H6/c1-7-2-4-8(5-3-7)9-6-10;2*1-2/h2-6H,1H3,(H,9,10);2*1-2H3
InChIKeyVEZQFDHWNRUAEF-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylphenyl)phenyl]formamide
CID 87370886
ethane;methylcyclobutane;N-(4-methylphenyl)formamide
CID 143234755
ethane;N-(4-hydroxyphenyl)formamide;methanamine
CID 145229488
ethane;N-(4-ethenylphenyl)formamide
CID 143911440
N-(4-formylphenyl)formamide
CID 15314216
N-(4-bromophenyl)formamide;methane
CID 163289567
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
N-methyl-2-morpholin-4-ylethanamine;N-(4-methylphenyl)formamide
CID 143489582
N-[4-[formyl(methyl)amino]phenyl]formamide
CID 122630608
N-(3,5-dimethylphenyl)-4-formamidobenzamide
CID 168654127
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide
CID 168650971
N,4-dimethylaniline;ethane
CID 90758225

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)formamide?
The IUPAC name of ethane;N-(4-methylphenyl)formamide (CID 142066401) is ethane;N-(4-methylphenyl)formamide.
What is the SMILES notation for ethane;N-(4-methylphenyl)formamide?
The canonical SMILES for ethane;N-(4-methylphenyl)formamide is CC.CC.Cc1ccc(NC=O)cc1.
What is the InChIKey of ethane;N-(4-methylphenyl)formamide?
The InChIKey is VEZQFDHWNRUAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.2C2H6/c1-7-2-4-8(5-3-7)9-6-10;2*1-2/h2-6H,1H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;N-(4-methylphenyl)formamide?
ethane;N-(4-methylphenyl)formamide has a molecular weight of 195.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)formamide is sourced from PubChem (CID 142066401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).