4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide

C15H19N3O3 — CID 82991077

IUPAC4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(NC2CC=CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O3/c1-17(2)15(19)11-8-9-13(14(10-11)18(20)21)16-12-6-4-3-5-7-12/h3-4,8-10,12,16H,5-7H2,1-2H3
InChIKeyQBZMLONBSIOYOY-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.82
Rot. Bonds4

About 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide

4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide (PubChem CID 82991077) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide
PubChem CID82991077
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(NC2CC=CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O3/c1-17(2)15(19)11-8-9-13(14(10-11)18(20)21)16-12-6-4-3-5-7-12/h3-4,8-10,12,16H,5-7H2,1-2H3
InChIKeyQBZMLONBSIOYOY-UHFFFAOYSA-N
XLogP2.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
CID 82993215
4-(cyclopropylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9227101
methyl 2-[[4-(cyclopent-3-en-1-ylamino)-3-nitrobenzoyl]amino]acetate
CID 133362138
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide
CID 26594047
4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82993209
N,N-dimethyl-3-nitro-4-(pyrrolidin-3-ylmethylamino)benzamide
CID 82993219
4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9225803
4-(cyclopropylamino)-N-ethyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855043
4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82993221
4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047047
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205
2-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide (CID 82991077) is 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide is CN(C)C(=O)c1ccc(NC2CC=CCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is QBZMLONBSIOYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17(2)15(19)11-8-9-13(14(10-11)18(20)21)16-12-6-4-3-5-7-12/h3-4,8-10,12,16H,5-7H2,1-2H3.
What are the key properties of 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide?
4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide has a molecular weight of 289.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 82991077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).