N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide

C13H16N2O4 — CID 115775556

IUPACN-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N2O4/c1-2-7-14(8-9-16)13(17)10-11-3-5-12(6-4-11)15(18)19/h2-6,16H,1,7-10H2
InChIKeyLARNFWCSVNFNRB-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.14
Rot. Bonds7

About N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide

N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide (PubChem CID 115775556) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
PubChem CID115775556
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N2O4/c1-2-7-14(8-9-16)13(17)10-11-3-5-12(6-4-11)15(18)19/h2-6,16H,1,7-10H2
InChIKeyLARNFWCSVNFNRB-UHFFFAOYSA-N
XLogP1.14
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
CID 113340604
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775942
3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide
CID 102359684
2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 4628427
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
CID 134013284
2-[[2-(3-nitrophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 104541001
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
potassium 2-(4-nitrophenyl)acetate
CID 15261201
2-[(2-amino-2-oxoethyl)-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 107433905
2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol
CID 19702708
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide (CID 115775556) is N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide is C=CCN(CCO)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide?
The InChIKey is LARNFWCSVNFNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-7-14(8-9-16)13(17)10-11-3-5-12(6-4-11)15(18)19/h2-6,16H,1,7-10H2.
What are the key properties of N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide?
N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide has a molecular weight of 264.28 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 115775556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).