N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide

C19H30N2O2 — CID 143196277

IUPACN-hexyl-3-phenylpropanamide;N-prop-2-enylformamide
SMILESC=CCNC=O.CCCCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C15H23NO.C4H7NO/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14;1-2-3-5-4-6/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,16,17);2,4H,1,3H2,(H,5,6)
InChIKeyDYVOZRZICJIFHC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.23
Rot. Bonds11

About N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide

N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide (PubChem CID 143196277) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide.

Molecular Properties

Compound NameN-hexyl-3-phenylpropanamide;N-prop-2-enylformamide
PubChem CID143196277
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-hexyl-3-phenylpropanamide;N-prop-2-enylformamide
SMILESC=CCNC=O.CCCCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C15H23NO.C4H7NO/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14;1-2-3-5-4-6/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,16,17);2,4H,1,3H2,(H,5,6)
InChIKeyDYVOZRZICJIFHC-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylbutyl)hexanamide
CID 4985988
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814556
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
benzyl-dimethyl-[3-(nonadecanoylamino)propyl]azanium
CID 101212819
benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium
CID 7536
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide?
The IUPAC name of N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide (CID 143196277) is N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide.
What is the SMILES notation for N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide?
The canonical SMILES for N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide is C=CCNC=O.CCCCCCNC(=O)CCc1ccccc1.
What is the InChIKey of N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide?
The InChIKey is DYVOZRZICJIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C4H7NO/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14;1-2-3-5-4-6/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,16,17);2,4H,1,3H2,(H,5,6).
What are the key properties of N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide?
N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide has a molecular weight of 318.46 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide is sourced from PubChem (CID 143196277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).