ethane;N-ethyl-2-phenylacetamide;molecular hydrogen

C12H21NO — CID 167457544

IUPACethane;N-ethyl-2-phenylacetamide;molecular hydrogen
SMILESCC.CCNC(=O)Cc1ccccc1.[H][H]
InChIInChI=1S/C10H13NO.C2H6.H2/c1-2-11-10(12)8-9-6-4-3-5-7-9;1-2;/h3-7H,2,8H2,1H3,(H,11,12);1-2H3;1H
InChIKeySRQSHFCNTKZXON-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.64
Rot. Bonds3

About ethane;N-ethyl-2-phenylacetamide;molecular hydrogen

ethane;N-ethyl-2-phenylacetamide;molecular hydrogen (PubChem CID 167457544) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;N-ethyl-2-phenylacetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethyl-2-phenylacetamide;molecular hydrogen
PubChem CID167457544
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;N-ethyl-2-phenylacetamide;molecular hydrogen
SMILESCC.CCNC(=O)Cc1ccccc1.[H][H]
InChIInChI=1S/C10H13NO.C2H6.H2/c1-2-11-10(12)8-9-6-4-3-5-7-9;1-2;/h3-7H,2,8H2,1H3,(H,11,12);1-2H3;1H
InChIKeySRQSHFCNTKZXON-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;N-ethyl-2-phenylacetamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
CID 144547081
N-ethyl-2-[ethyl-(2-oxo-3-phenylpropyl)amino]acetamide
CID 62030498
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane
CID 170603085
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide
CID 143411629
N-ethylethanamine;2-phenylacetic acid
CID 143630479
2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide
CID 76867264
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
methylphosphane;N-(2-oxopropyl)-2-phenylacetamide
CID 161423403

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-phenylacetamide;molecular hydrogen?
The IUPAC name of ethane;N-ethyl-2-phenylacetamide;molecular hydrogen (CID 167457544) is ethane;N-ethyl-2-phenylacetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-ethyl-2-phenylacetamide;molecular hydrogen?
The canonical SMILES for ethane;N-ethyl-2-phenylacetamide;molecular hydrogen is CC.CCNC(=O)Cc1ccccc1.[H][H].
What is the InChIKey of ethane;N-ethyl-2-phenylacetamide;molecular hydrogen?
The InChIKey is SRQSHFCNTKZXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6.H2/c1-2-11-10(12)8-9-6-4-3-5-7-9;1-2;/h3-7H,2,8H2,1H3,(H,11,12);1-2H3;1H.
What are the key properties of ethane;N-ethyl-2-phenylacetamide;molecular hydrogen?
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen has a molecular weight of 195.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-phenylacetamide;molecular hydrogen is sourced from PubChem (CID 167457544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).