ethane;methane;N-phenylpropanamide

C16H33NO — CID 159778408

IUPACethane;methane;N-phenylpropanamide
SMILESC.CC.CC.CC.CCC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO.3C2H6.CH4/c1-2-9(11)10-8-6-4-3-5-7-8;3*1-2;/h3-7H,2H2,1H3,(H,10,11);3*1-2H3;1H4
InChIKeyNHARUOAYLYYXIO-UHFFFAOYSA-N
MW255.45 g/mol
LogP5.75
Rot. Bonds2

About ethane;methane;N-phenylpropanamide

ethane;methane;N-phenylpropanamide (PubChem CID 159778408) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;methane;N-phenylpropanamide.

Molecular Properties

Compound Nameethane;methane;N-phenylpropanamide
PubChem CID159778408
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Nameethane;methane;N-phenylpropanamide
SMILESC.CC.CC.CC.CCC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO.3C2H6.CH4/c1-2-9(11)10-8-6-4-3-5-7-8;3*1-2;/h3-7H,2H2,1H3,(H,10,11);3*1-2H3;1H4
InChIKeyNHARUOAYLYYXIO-UHFFFAOYSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
N-(3-benzylphenyl)propanamide
CID 70797974
3-oxo-N-phenylbutanamide
CID 161275903
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
1-(4-acetylphenyl)propan-1-one;ethane;3-oxo-N-phenylbutanamide
CID 174808780
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-[4-[(2-hydroxy-2-phenylacetyl)amino]phenyl]propanamide
CID 110895297
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
3-(dipropylamino)-N-phenylpropanamide
CID 52579960

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-phenylpropanamide?
The IUPAC name of ethane;methane;N-phenylpropanamide (CID 159778408) is ethane;methane;N-phenylpropanamide.
What is the SMILES notation for ethane;methane;N-phenylpropanamide?
The canonical SMILES for ethane;methane;N-phenylpropanamide is C.CC.CC.CC.CCC(=O)Nc1ccccc1.
What is the InChIKey of ethane;methane;N-phenylpropanamide?
The InChIKey is NHARUOAYLYYXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.3C2H6.CH4/c1-2-9(11)10-8-6-4-3-5-7-8;3*1-2;/h3-7H,2H2,1H3,(H,10,11);3*1-2H3;1H4.
What are the key properties of ethane;methane;N-phenylpropanamide?
ethane;methane;N-phenylpropanamide has a molecular weight of 255.45 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-phenylpropanamide is sourced from PubChem (CID 159778408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).