benzene;molecular hydrogen;2-phenyl-N-propylacetamide

C17H23NO — CID 144955399

IUPACbenzene;molecular hydrogen;2-phenyl-N-propylacetamide
SMILESCCCNC(=O)Cc1ccccc1.[H][H].c1ccccc1
InChIInChI=1S/C11H15NO.C6H6.H2/c1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-2-4-6-5-3-1;/h3-7H,2,8-9H2,1H3,(H,12,13);1-6H;1H
InChIKeyOWCQKFBMGFYGLE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.69
Rot. Bonds4

About benzene;molecular hydrogen;2-phenyl-N-propylacetamide

benzene;molecular hydrogen;2-phenyl-N-propylacetamide (PubChem CID 144955399) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is benzene;molecular hydrogen;2-phenyl-N-propylacetamide.

Molecular Properties

Compound Namebenzene;molecular hydrogen;2-phenyl-N-propylacetamide
PubChem CID144955399
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Namebenzene;molecular hydrogen;2-phenyl-N-propylacetamide
SMILESCCCNC(=O)Cc1ccccc1.[H][H].c1ccccc1
InChIInChI=1S/C11H15NO.C6H6.H2/c1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-2-4-6-5-3-1;/h3-7H,2,8-9H2,1H3,(H,12,13);1-6H;1H
InChIKeyOWCQKFBMGFYGLE-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
N'-benzyl-N-propylpropanediamide
CID 108940601
molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
CID 144547081
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide
CID 21340974

Frequently Asked Questions

What is the IUPAC name of benzene;molecular hydrogen;2-phenyl-N-propylacetamide?
The IUPAC name of benzene;molecular hydrogen;2-phenyl-N-propylacetamide (CID 144955399) is benzene;molecular hydrogen;2-phenyl-N-propylacetamide.
What is the SMILES notation for benzene;molecular hydrogen;2-phenyl-N-propylacetamide?
The canonical SMILES for benzene;molecular hydrogen;2-phenyl-N-propylacetamide is CCCNC(=O)Cc1ccccc1.[H][H].c1ccccc1.
What is the InChIKey of benzene;molecular hydrogen;2-phenyl-N-propylacetamide?
The InChIKey is OWCQKFBMGFYGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C6H6.H2/c1-2-8-12-11(13)9-10-6-4-3-5-7-10;1-2-4-6-5-3-1;/h3-7H,2,8-9H2,1H3,(H,12,13);1-6H;1H.
What are the key properties of benzene;molecular hydrogen;2-phenyl-N-propylacetamide?
benzene;molecular hydrogen;2-phenyl-N-propylacetamide has a molecular weight of 257.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;molecular hydrogen;2-phenyl-N-propylacetamide is sourced from PubChem (CID 144955399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).