2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide

C19H28ClN3O2 — CID 11935793

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@@H](NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)CCC[C@@H]1C
InChIInChI=1S/C19H28ClN3O2/c1-13-7-6-10-16(14(13)2)21-18(24)11-23(3)12-19(25)22-17-9-5-4-8-15(17)20/h4-5,8-9,13-14,16H,6-7,10-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14+,16-/m0/s1
InChIKeyDGBFHCUTMVLVEA-LZWOXQAQSA-N
MW365.91 g/mol
LogP3.15
Rot. Bonds6

About 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11935793) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11935793
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@@H](NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)CCC[C@@H]1C
InChIInChI=1S/C19H28ClN3O2/c1-13-7-6-10-16(14(13)2)21-18(24)11-23(3)12-19(25)22-17-9-5-4-8-15(17)20/h4-5,8-9,13-14,16H,6-7,10-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14+,16-/m0/s1
InChIKeyDGBFHCUTMVLVEA-LZWOXQAQSA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938604
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9434265
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98620369
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129419826
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250651
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8559717
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 11928144
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 11929471
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide (CID 11935793) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide is C[C@H]1[C@@H](NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)CCC[C@@H]1C.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is DGBFHCUTMVLVEA-LZWOXQAQSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-13-7-6-10-16(14(13)2)21-18(24)11-23(3)12-19(25)22-17-9-5-4-8-15(17)20/h4-5,8-9,13-14,16H,6-7,10-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14+,16-/m0/s1.
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 365.91 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11935793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).