(E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine

C19H24N4O4 — CID 143198839

IUPAC(E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine
SMILESCCCN(/C(=C/N)c1cc(OC)c(OC)cc1N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H24N4O4/c1-4-9-22(13-5-7-14(8-6-13)23(24)25)17(12-20)15-10-18(26-2)19(27-3)11-16(15)21/h5-8,10-12H,4,9,20-21H2,1-3H3/b17-12+
InChIKeyZQRHLWASOQDORI-SFQUDFHCSA-N
MW372.43 g/mol
LogP3.37
Rot. Bonds8

About (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine

(E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine (PubChem CID 143198839) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine
PubChem CID143198839
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine
SMILESCCCN(/C(=C/N)c1cc(OC)c(OC)cc1N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H24N4O4/c1-4-9-22(13-5-7-14(8-6-13)23(24)25)17(12-20)15-10-18(26-2)19(27-3)11-16(15)21/h5-8,10-12H,4,9,20-21H2,1-3H3/b17-12+
InChIKeyZQRHLWASOQDORI-SFQUDFHCSA-N
XLogP3.37
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

1-(2-methoxy-5-nitrophenyl)-1-propylthiourea
CID 18322274
6-(4-amino-N-methylanilino)hexan-3-one;2,5-dimethoxybenzene-1,4-diamine;ethane;4-nitroaniline
CID 168924826
4-N-ethyl-2-methoxy-4-N-methylbenzene-1,4-diamine;4-nitroaniline
CID 156810686
methyl 4-[[4-[[4-[(4-nitrobenzoyl)-propylamino]benzoyl]-propylamino]benzoyl]-propylamino]benzoate
CID 132533382
ethyl N-[(E)-4-(N-ethoxycarbonyl-4-nitroanilino)but-2-enyl]-N-(4-nitrophenyl)carbamate
CID 15415156
ethyl 2-(4-nitrophenyl)-3-oxo-3-(2,4,5-trimethoxyphenyl)propanoate
CID 42656821
N-[3-(3,4-dimethoxy-N-methylanilino)propyl]-N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
CID 100949271
methyl 2-(4-nitro-N-propylanilino)acetate
CID 62005200
2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
CID 169183184
2-methoxy-4-nitrobenzaldehyde
CID 2759599
nitro 2-amino-4,5-dimethoxybenzoate
CID 174871974
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine?
The IUPAC name of (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine (CID 143198839) is (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine.
What is the SMILES notation for (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine?
The canonical SMILES for (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine is CCCN(/C(=C/N)c1cc(OC)c(OC)cc1N)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine?
The InChIKey is ZQRHLWASOQDORI-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-4-9-22(13-5-7-14(8-6-13)23(24)25)17(12-20)15-10-18(26-2)19(27-3)11-16(15)21/h5-8,10-12H,4,9,20-21H2,1-3H3/b17-12+.
What are the key properties of (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine?
(E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine has a molecular weight of 372.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-amino-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)-N-propylethene-1,2-diamine is sourced from PubChem (CID 143198839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).