4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide

C18H19N3O3 — CID 4183626

IUPAC4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
SMILESCc1ccc(C(=O)NN=C(c2ccccc2)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O3/c1-12(2)17(14-7-5-4-6-8-14)19-20-18(22)15-10-9-13(3)16(11-15)21(23)24/h4-12H,1-3H3,(H,20,22)
InChIKeyZZULPRFGFVWDQX-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.69
Rot. Bonds5

About 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide

4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide (PubChem CID 4183626) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
PubChem CID4183626
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
SMILESCc1ccc(C(=O)NN=C(c2ccccc2)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O3/c1-12(2)17(14-7-5-4-6-8-14)19-20-18(22)15-10-9-13(3)16(11-15)21(23)24/h4-12H,1-3H3,(H,20,22)
InChIKeyZZULPRFGFVWDQX-UHFFFAOYSA-N
XLogP3.69
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 6538181
4-methyl-3-nitro-N-(2-phenylpropylideneamino)benzamide
CID 4992435
4-methyl-N-(2-methylpropylideneamino)-3-nitrobenzamide
CID 5112542
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807
N-(heptan-4-ylideneamino)-4-methyl-3-nitrobenzamide
CID 4097722
1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6265756
4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 94847876
4-methyl-N-[1-(2-methylphenyl)ethyl]-3-nitrobenzamide
CID 112762357
N-[1-(4-ethylphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 840460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide?
The IUPAC name of 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide (CID 4183626) is 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide?
The canonical SMILES for 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide is Cc1ccc(C(=O)NN=C(c2ccccc2)C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide?
The InChIKey is ZZULPRFGFVWDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(2)17(14-7-5-4-6-8-14)19-20-18(22)15-10-9-13(3)16(11-15)21(23)24/h4-12H,1-3H3,(H,20,22).
What are the key properties of 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide?
4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide has a molecular weight of 325.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide is sourced from PubChem (CID 4183626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).