5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide

C27H45ClN4O2 — CID 137382035

IUPAC5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC(C(=O)NC(C)C)C(C)C)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C27H45ClN4O2/c1-9-32(22-12-10-21(11-13-22)31(7)8)25-15-20(28)14-23(19(25)6)26(33)29-16-24(17(2)3)27(34)30-18(4)5/h14-15,17-18,21-22,24H,9-13,16H2,1-8H3,(H,29,33)(H,30,34)
InChIKeyFXKJXYVPJLYLBI-UHFFFAOYSA-N
MW493.14 g/mol
LogP4.87
Rot. Bonds10

About 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide

5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide (PubChem CID 137382035) has the molecular formula C27H45ClN4O2 and a molecular weight of 493.14 g/mol. Its IUPAC name is 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide.

Molecular Properties

Compound Name5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide
PubChem CID137382035
Molecular FormulaC27H45ClN4O2
Molecular Weight493.14 g/mol
Exact Mass492.32
IUPAC Name5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC(C(=O)NC(C)C)C(C)C)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C27H45ClN4O2/c1-9-32(22-12-10-21(11-13-22)31(7)8)25-15-20(28)14-23(19(25)6)26(33)29-16-24(17(2)3)27(34)30-18(4)5/h14-15,17-18,21-22,24H,9-13,16H2,1-8H3,(H,29,33)(H,30,34)
InChIKeyFXKJXYVPJLYLBI-UHFFFAOYSA-N
XLogP4.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.14
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide with MolForge

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Related Compounds

5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(6-methoxy-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90252874
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(4-phenyl-1H-imidazol-5-yl)methyl]benzamide
CID 86288461
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90252807
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,7-dimethyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylbenzamide
CID 158394729
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 70913078
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(2-methyl-3-morpholin-4-yl-5-oxo-1H-pyrazol-4-yl)methyl]benzamide
CID 90469065
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,2,4-triazol-1-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252803
N-(2-carbamoylprop-2-enyl)-5-chloro-3-[ethyl-(4-methylsulfonylcyclohexyl)amino]-2-methylbenzamide
CID 123957536
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,2-thiazol-5-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252875
5-chloro-N-[[5-[2-[[4-[5-chloro-N-ethyl-2-methyl-3-[(2-methyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)methylcarbamoyl]anilino]cyclohexyl]-methylamino]ethyl]-2-ethyl-3-oxo-1H-pyrazol-4-yl]methyl]-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methylbenzamide
CID 123851221

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide?
The IUPAC name of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide (CID 137382035) is 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide.
What is the SMILES notation for 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide?
The canonical SMILES for 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide is CCN(c1cc(Cl)cc(C(=O)NCC(C(=O)NC(C)C)C(C)C)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide?
The InChIKey is FXKJXYVPJLYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45ClN4O2/c1-9-32(22-12-10-21(11-13-22)31(7)8)25-15-20(28)14-23(19(25)6)26(33)29-16-24(17(2)3)27(34)30-18(4)5/h14-15,17-18,21-22,24H,9-13,16H2,1-8H3,(H,29,33)(H,30,34).
What are the key properties of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide?
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide has a molecular weight of 493.14 g/mol, XLogP of 4.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide is sourced from PubChem (CID 137382035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).