N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide

C23H26N2O5 — CID 164623572

IUPACN-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C23H26N2O5/c1-4-5-6-23(26)24-19-11-8-17(9-12-19)7-10-18-15-20(29-2)16-22(30-3)21(18)13-14-25(27)28/h7-16H,4-6H2,1-3H3,(H,24,26)/b10-7+,14-13+
InChIKeyBLDUPHGOSCOJCH-CDITWBNYSA-N
MW410.47 g/mol
LogP5.25
Rot. Bonds10

About N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide

N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide (PubChem CID 164623572) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide
PubChem CID164623572
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C23H26N2O5/c1-4-5-6-23(26)24-19-11-8-17(9-12-19)7-10-18-15-20(29-2)16-22(30-3)21(18)13-14-25(27)28/h7-16H,4-6H2,1-3H3,(H,24,26)/b10-7+,14-13+
InChIKeyBLDUPHGOSCOJCH-CDITWBNYSA-N
XLogP5.25
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]acetamide
CID 164611020
(E)-N-butyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495784
[4-[(1E,4E)-5-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-3-oxopenta-1,4-dienyl]phenyl] nitrate
CID 57397686
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(4-hexoxyphenyl)prop-2-en-1-one
CID 54581750
3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-ethylprop-2-enamide
CID 174654961
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] pentanoate
CID 19184236
1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene
CID 1421523
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-[2,5-dimethoxy-4-[(4-methoxyphenyl)carbamothioylamino]phenyl]pentanamide
CID 3193307
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide?
The IUPAC name of N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide (CID 164623572) is N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide?
The InChIKey is BLDUPHGOSCOJCH-CDITWBNYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-4-5-6-23(26)24-19-11-8-17(9-12-19)7-10-18-15-20(29-2)16-22(30-3)21(18)13-14-25(27)28/h7-16H,4-6H2,1-3H3,(H,24,26)/b10-7+,14-13+.
What are the key properties of N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide?
N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide has a molecular weight of 410.47 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]pentanamide is sourced from PubChem (CID 164623572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).