N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide

C14H18N2O3 — CID 90499658

IUPACN-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-9-15-13(18)14(19)16-10-8-12(17)11-6-4-3-5-7-11/h2-7,12,17H,1,8-10H2,(H,15,18)(H,16,19)
InChIKeyCNIAZEMEEVTGMU-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.53
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide

N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide (PubChem CID 90499658) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
PubChem CID90499658
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-9-15-13(18)14(19)16-10-8-12(17)11-6-4-3-5-7-11/h2-7,12,17H,1,8-10H2,(H,15,18)(H,16,19)
InChIKeyCNIAZEMEEVTGMU-UHFFFAOYSA-N
XLogP0.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
N'-(2,3-dimethylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782301
N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
CID 121134301
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide (CID 90499658) is N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide?
The InChIKey is CNIAZEMEEVTGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-9-15-13(18)14(19)16-10-8-12(17)11-6-4-3-5-7-11/h2-7,12,17H,1,8-10H2,(H,15,18)(H,16,19).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide?
N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide has a molecular weight of 262.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide is sourced from PubChem (CID 90499658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).