2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate

C19H18N2O6 — CID 18552542

IUPAC2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate
SMILESCC(O)COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O6/c1-13(22)12-27-19(24)17(20-18(23)15-5-3-2-4-6-15)11-14-7-9-16(10-8-14)21(25)26/h2-11,13,22H,12H2,1H3,(H,20,23)/b17-11-
InChIKeyDWPAFIGAHDHNPF-BOPFTXTBSA-N
MW370.36 g/mol
LogP2.29
Rot. Bonds7

About 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate

2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate (PubChem CID 18552542) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate
PubChem CID18552542
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate
SMILESCC(O)COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O6/c1-13(22)12-27-19(24)17(20-18(23)15-5-3-2-4-6-15)11-14-7-9-16(10-8-14)21(25)26/h2-11,13,22H,12H2,1H3,(H,20,23)/b17-11-
InChIKeyDWPAFIGAHDHNPF-BOPFTXTBSA-N
XLogP2.29
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate 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

[2-(4-nitrophenyl)-2-oxoethyl] 2-benzamido-3-(4-chlorophenyl)prop-2-enoate
CID 2885223
2-methylpropyl (2E,4E)-2-benzamido-5-(4-nitrophenyl)penta-2,4-dienoate
CID 7244704
N-[(E)-3-[(2-aminophenyl)methylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 124657321
N-[(Z)-3-[(2-aminophenyl)methylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19057687
ethyl 2-acetamido-3-(4-nitrophenyl)prop-2-enoate
CID 2908560
methyl 2-[(4-butoxybenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoate
CID 2909872
N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7405920
2-[[(Z)-2-[(3-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 46498685
(2S)-2-[[(Z)-2-[(3-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 92848532
N-[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
CID 1358748
N-[(E)-3-[3-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19311643
N-[(Z)-3-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22188504

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate?
The IUPAC name of 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate (CID 18552542) is 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate.
What is the SMILES notation for 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate?
The canonical SMILES for 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate is CC(O)COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1.
What is the InChIKey of 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate?
The InChIKey is DWPAFIGAHDHNPF-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-13(22)12-27-19(24)17(20-18(23)15-5-3-2-4-6-15)11-14-7-9-16(10-8-14)21(25)26/h2-11,13,22H,12H2,1H3,(H,20,23)/b17-11-.
What are the key properties of 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate?
2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate has a molecular weight of 370.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 18552542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).