2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C19H28ClN3O3 — CID 9222495

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H28ClN3O3/c1-13-6-4-5-7-15(13)21-18(24)11-23(2)12-19(25)22-16-10-14(20)8-9-17(16)26-3/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,15+/m0/s1
InChIKeyKTZJJILRMZPKGT-DZGCQCFKSA-N
MW381.90 g/mol
LogP2.91
Rot. Bonds7

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 9222495) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID9222495
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H28ClN3O3/c1-13-6-4-5-7-15(13)21-18(24)11-23(2)12-19(25)22-16-10-14(20)8-9-17(16)26-3/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,15+/m0/s1
InChIKeyKTZJJILRMZPKGT-DZGCQCFKSA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7667186
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 9197964
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8794053
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9198274
N-(5-chloro-2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 119929559
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261077
2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8794021

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 9222495) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is KTZJJILRMZPKGT-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-13-6-4-5-7-15(13)21-18(24)11-23(2)12-19(25)22-16-10-14(20)8-9-17(16)26-3/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,15+/m0/s1.
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 381.90 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9222495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).