N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide

C15H19NO2 — CID 134893638

IUPACN-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)CC(O)C=C
InChIInChI=1S/C15H19NO2/c1-3-10-16(15(18)11-14(17)4-2)12-13-8-6-5-7-9-13/h3-9,14,17H,1-2,10-12H2
InChIKeyLPULCHCCIUOSSU-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.14
Rot. Bonds7

About N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide

N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide (PubChem CID 134893638) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
PubChem CID134893638
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)CC(O)C=C
InChIInChI=1S/C15H19NO2/c1-3-10-16(15(18)11-14(17)4-2)12-13-8-6-5-7-9-13/h3-9,14,17H,1-2,10-12H2
InChIKeyLPULCHCCIUOSSU-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide
CID 10998524
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
CID 71369406
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
N,N-dibenzylbut-3-enamide
CID 134848345
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
sodium N-benzyl-N-prop-2-enylcarbamodithioate
CID 118484135
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide?
The IUPAC name of N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide (CID 134893638) is N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide.
What is the SMILES notation for N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide?
The canonical SMILES for N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide is C=CCN(Cc1ccccc1)C(=O)CC(O)C=C.
What is the InChIKey of N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide?
The InChIKey is LPULCHCCIUOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-10-16(15(18)11-14(17)4-2)12-13-8-6-5-7-9-13/h3-9,14,17H,1-2,10-12H2.
What are the key properties of N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide?
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide has a molecular weight of 245.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 134893638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).