(Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide

C17H16N2O4 — CID 2289117

IUPAC(Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N2O4/c1-23-16-9-4-14(5-10-16)12-18-17(20)11-6-13-2-7-15(8-3-13)19(21)22/h2-11H,12H2,1H3,(H,18,20)/b11-6-
InChIKeyOSYDMXZZNLNXHY-WDZFZDKYSA-N
MW312.33 g/mol
LogP2.93
Rot. Bonds6

About (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide

(Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 2289117) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID2289117
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N2O4/c1-23-16-9-4-14(5-10-16)12-18-17(20)11-6-13-2-7-15(8-3-13)19(21)22/h2-11H,12H2,1H3,(H,18,20)/b11-6-
InChIKeyOSYDMXZZNLNXHY-WDZFZDKYSA-N
XLogP2.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

SB-237376 free base
CID 9845214
2-[2-[[1-[(4-Methoxyphenyl)methyl]-5-[(4-nitrophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 56596123
N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide
CID 270357
N-[2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 726887
4-methoxy-3-nitro-N-(2-phenylethyl)benzamide
CID 823655
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272
4-methoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
CID 2960624
1-[2-(4-Methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2981704
N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 888375
N-[5-[4-[2-(hydroxyamino)-2-oxoethyl]anilino]-5-oxopentyl]-4-methoxybenzamide
CID 124087075
1-[(4-methoxyphenyl)methyl]-5-nitro-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 134137023
2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-7-nitro-1-oxo-isoquinoline-4-carboxamide
CID 136056618

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide (CID 2289117) is (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide is COc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is OSYDMXZZNLNXHY-WDZFZDKYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-23-16-9-4-14(5-10-16)12-18-17(20)11-6-13-2-7-15(8-3-13)19(21)22/h2-11H,12H2,1H3,(H,18,20)/b11-6-.
What are the key properties of (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide?
(Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 312.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).