N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide

C18H18N4O5 — CID 3650874

IUPACN-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
SMILESCOc1ccc(NC(=O)C(C)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H18N4O5/c1-12(17(23)20-14-5-9-16(27-2)10-6-14)18(24)21-19-11-13-3-7-15(8-4-13)22(25)26/h3-12H,1-2H3,(H,20,23)(H,21,24)
InChIKeyUUYWXMYGWUHITN-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.33
Rot. Bonds7

About N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide

N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide (PubChem CID 3650874) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
PubChem CID3650874
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
SMILESCOc1ccc(NC(=O)C(C)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H18N4O5/c1-12(17(23)20-14-5-9-16(27-2)10-6-14)18(24)21-19-11-13-3-7-15(8-4-13)22(25)26/h3-12H,1-2H3,(H,20,23)(H,21,24)
InChIKeyUUYWXMYGWUHITN-UHFFFAOYSA-N
XLogP2.33
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 135659369
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 5147897
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 136766986
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3999202
N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3643753
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide (CID 3650874) is N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide is COc1ccc(NC(=O)C(C)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide?
The InChIKey is UUYWXMYGWUHITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-12(17(23)20-14-5-9-16(27-2)10-6-14)18(24)21-19-11-13-3-7-15(8-4-13)22(25)26/h3-12H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide?
N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide has a molecular weight of 370.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3650874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).