N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide

C17H16N2O3 — CID 176893369

IUPACN-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide
SMILESC=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C17H16N2O3/c1-13(16-8-10-17(11-9-16)19(21)22)18(14(2)20)12-15-6-4-3-5-7-15/h3-11H,1,12H2,2H3
InChIKeyCUKTYAKYEAZCBV-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.61
Rot. Bonds5

About N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide

N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide (PubChem CID 176893369) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide
PubChem CID176893369
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide
SMILESC=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C17H16N2O3/c1-13(16-8-10-17(11-9-16)19(21)22)18(14(2)20)12-15-6-4-3-5-7-15/h3-11H,1,12H2,2H3
InChIKeyCUKTYAKYEAZCBV-UHFFFAOYSA-N
XLogP3.61
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-benzyl-N-(4-nitrobenzoyl)carbamate
CID 10450911
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227
N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide
CID 102487068
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 118070261
N-(2-methyl-1-phenylpropan-2-yl)-4-nitrobenzamide
CID 84568314
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide
CID 175521357
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
methyl-[2-(4-nitrophenyl)prop-2-enyl]carbamic acid
CID 118140910
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
acetic acid;benzene;nitrobenzene;propane
CID 91358448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide?
The IUPAC name of N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide (CID 176893369) is N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide.
What is the SMILES notation for N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide?
The canonical SMILES for N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide is C=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide?
The InChIKey is CUKTYAKYEAZCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-13(16-8-10-17(11-9-16)19(21)22)18(14(2)20)12-15-6-4-3-5-7-15/h3-11H,1,12H2,2H3.
What are the key properties of N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide?
N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide is sourced from PubChem (CID 176893369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).