N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide

C19H22N4O5 — CID 29225122

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5/c1-5-20-15-8-6-14(10-16(15)23(25)26)19(24)22-21-12(2)13-7-9-17(27-3)18(11-13)28-4/h6-11,20H,5H2,1-4H3,(H,22,24)/b21-12-
InChIKeyNOAHGALEMVELHA-MTJSOVHGSA-N
MW386.41 g/mol
LogP3.20
Rot. Bonds8

About N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide (PubChem CID 29225122) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide
PubChem CID29225122
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5/c1-5-20-15-8-6-14(10-16(15)23(25)26)19(24)22-21-12(2)13-7-9-17(27-3)18(11-13)28-4/h6-11,20H,5H2,1-4H3,(H,22,24)/b21-12-
InChIKeyNOAHGALEMVELHA-MTJSOVHGSA-N
XLogP3.20
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 135683419
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861
3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
CID 5110983
N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
CID 3493756
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 9014955

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide (CID 29225122) is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide is CCNc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide?
The InChIKey is NOAHGALEMVELHA-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-5-20-15-8-6-14(10-16(15)23(25)26)19(24)22-21-12(2)13-7-9-17(27-3)18(11-13)28-4/h6-11,20H,5H2,1-4H3,(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide has a molecular weight of 386.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide is sourced from PubChem (CID 29225122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).