3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline

C24H22N2O2 — CID 11624890

IUPAC3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
SMILESO=[N+]([O-])c1cccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c27-26(28)24-17-7-16-23(20-24)25(18-8-14-21-10-3-1-4-11-21)19-9-15-22-12-5-2-6-13-22/h1-17,20H,18-19H2/b14-8+,15-9+
InChIKeySGSDHZXETFMDCJ-VOMDNODZSA-N
MW370.45 g/mol
LogP5.83
Rot. Bonds8

About 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline

3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 11624890) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
PubChem CID11624890
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
SMILESO=[N+]([O-])c1cccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c27-26(28)24-17-7-16-23(20-24)25(18-8-14-21-10-3-1-4-11-21)19-9-15-22-12-5-2-6-13-22/h1-17,20H,18-19H2/b14-8+,15-9+
InChIKeySGSDHZXETFMDCJ-VOMDNODZSA-N
XLogP5.83
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.83
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

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CID 56955352
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CID 11573494
(E)-3-(3-nitrophenyl)prop-2-en-1-amine
CID 19966844
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
CID 2850900
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
N,N-dichloro-3-nitroaniline
CID 119097534
(3-nitrophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1376889
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
CID 173290020
(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
CID 92896876

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline (CID 11624890) is 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline is O=[N+]([O-])c1cccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)c1.
What is the InChIKey of 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is SGSDHZXETFMDCJ-VOMDNODZSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-26(28)24-17-7-16-23(20-24)25(18-8-14-21-10-3-1-4-11-21)19-9-15-22-12-5-2-6-13-22/h1-17,20H,18-19H2/b14-8+,15-9+.
What are the key properties of 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 370.45 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 11624890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).