N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine

C18H18N2O2 — CID 90893245

IUPACN,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine
SMILESCN(C)C=CC=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O2/c1-19(2)14-6-9-18(15-7-4-3-5-8-15)16-10-12-17(13-11-16)20(21)22/h3-14H,1-2H3
InChIKeyUZAOHZJIFBBYKO-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.10
Rot. Bonds5

About N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine

N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine (PubChem CID 90893245) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine
PubChem CID90893245
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine
SMILESCN(C)C=CC=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O2/c1-19(2)14-6-9-18(15-7-4-3-5-8-15)16-10-12-17(13-11-16)20(21)22/h3-14H,1-2H3
InChIKeyUZAOHZJIFBBYKO-UHFFFAOYSA-N
XLogP4.10
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.10
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
N-[[(E)-3-(dimethylamino)-1-phenylprop-2-enylidene]-lambda4-sulfanylidene]-4-nitrobenzenesulfonamide
CID 15271002
1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
CID 67496997
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
2-(4-nitrophenyl)-2-phenylethenone
CID 86199911
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
N-methyl-4-nitro-N-phenylaniline
CID 11287619

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine (CID 90893245) is N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine is CN(C)C=CC=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine?
The InChIKey is UZAOHZJIFBBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19(2)14-6-9-18(15-7-4-3-5-8-15)16-10-12-17(13-11-16)20(21)22/h3-14H,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine?
N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine has a molecular weight of 294.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-nitrophenyl)-4-phenylbuta-1,3-dien-1-amine is sourced from PubChem (CID 90893245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).