2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide

C21H29ClN2O3 — CID 4294196

IUPAC2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCCC1Oc2ccc(Cl)cc2N(C(C)C(=O)NC2CCCC(C)C2C)C1=O
InChIInChI=1S/C21H29ClN2O3/c1-5-18-21(26)24(17-11-15(22)9-10-19(17)27-18)14(4)20(25)23-16-8-6-7-12(2)13(16)3/h9-14,16,18H,5-8H2,1-4H3,(H,23,25)
InChIKeyGKFUGEPCPSJJQI-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.17
Rot. Bonds4

About 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide

2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide (PubChem CID 4294196) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide
PubChem CID4294196
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCCC1Oc2ccc(Cl)cc2N(C(C)C(=O)NC2CCCC(C)C2C)C1=O
InChIInChI=1S/C21H29ClN2O3/c1-5-18-21(26)24(17-11-15(22)9-10-19(17)27-18)14(4)20(25)23-16-8-6-7-12(2)13(16)3/h9-14,16,18H,5-8H2,1-4H3,(H,23,25)
InChIKeyGKFUGEPCPSJJQI-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide with MolForge

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Related Compounds

2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 7080943
2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-chlorophenyl)propanamide
CID 110831649
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 11930737
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 11916058
[(2S)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 51729994
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 11924532
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 11908881
2-(6-chloro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid
CID 82142631
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
7-chloro-4-cyclobutyl-N-cyclohexyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxamide
CID 69488421
5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
CID 63500408

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
The IUPAC name of 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide (CID 4294196) is 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
The canonical SMILES for 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide is CCC1Oc2ccc(Cl)cc2N(C(C)C(=O)NC2CCCC(C)C2C)C1=O.
What is the InChIKey of 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
The InChIKey is GKFUGEPCPSJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3/c1-5-18-21(26)24(17-11-15(22)9-10-19(17)27-18)14(4)20(25)23-16-8-6-7-12(2)13(16)3/h9-14,16,18H,5-8H2,1-4H3,(H,23,25).
What are the key properties of 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide has a molecular weight of 392.93 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 4294196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).