N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide

C18H16N2O3 — CID 92526201

IUPACN-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C=C\C=C\c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H16N2O3/c1-14(21)19-17-8-4-7-16(13-17)6-3-2-5-15-9-11-18(12-10-15)20(22)23/h2-13H,1H3,(H,19,21)/b5-2+,6-3-
InChIKeyBIRWVTCLAPDPLN-JGJYBARTSA-N
MW308.34 g/mol
LogP4.28
Rot. Bonds5

About N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide

N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide (PubChem CID 92526201) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide
PubChem CID92526201
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C=C\C=C\c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H16N2O3/c1-14(21)19-17-8-4-7-16(13-17)6-3-2-5-15-9-11-18(12-10-15)20(22)23/h2-13H,1H3,(H,19,21)/b5-2+,6-3-
InChIKeyBIRWVTCLAPDPLN-JGJYBARTSA-N
XLogP4.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(3-nitrophenyl)acetamide
CID 90876834
(E)-N-[3-[acetyl(methyl)amino]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 46761992
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 36824512
N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
CID 139794873
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
N-[3-[3-(4-nitrophenyl)-3-oxoprop-1-ynyl]phenyl]acetamide
CID 25109932
2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316
4-nitro-N-[3-[3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]benzamide
CID 3092314

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide (CID 92526201) is N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide is CC(=O)Nc1cccc(/C=C\C=C\c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide?
The InChIKey is BIRWVTCLAPDPLN-JGJYBARTSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-14(21)19-17-8-4-7-16(13-17)6-3-2-5-15-9-11-18(12-10-15)20(22)23/h2-13H,1H3,(H,19,21)/b5-2+,6-3-.
What are the key properties of N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide?
N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide is sourced from PubChem (CID 92526201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).