1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide

C22H24N4O6 — CID 4927083

IUPAC1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C22H24N4O6/c1-13-3-9-17(25(29)30)11-19(13)23-21(27)15-5-7-16(8-6-15)22(28)24-20-12-18(26(31)32)10-4-14(20)2/h3-4,9-12,15-16H,5-8H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXUNDIMUIFBPZNK-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.50
Rot. Bonds6

About 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 4927083) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID4927083
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Name1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C22H24N4O6/c1-13-3-9-17(25(29)30)11-19(13)23-21(27)15-5-7-16(8-6-15)22(28)24-20-12-18(26(31)32)10-4-14(20)2/h3-4,9-12,15-16H,5-8H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXUNDIMUIFBPZNK-UHFFFAOYSA-N
XLogP4.50
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide 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

1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5286985
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
(3S)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
N-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 19630854
(2S,5R)-5-(aminomethyl)-N-(2-methyl-5-nitrophenyl)oxolane-2-carboxamide
CID 120782704
N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588885

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide (CID 4927083) is 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1.
What is the InChIKey of 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is XUNDIMUIFBPZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6/c1-13-3-9-17(25(29)30)11-19(13)23-21(27)15-5-7-16(8-6-15)22(28)24-20-12-18(26(31)32)10-4-14(20)2/h3-4,9-12,15-16H,5-8H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 440.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 4927083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).