N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide

C21H33N3O3 — CID 11928144

IUPACN-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C21H33N3O3/c1-5-24(13-20(25)22-17-11-8-9-15(2)16(17)3)14-21(26)23-18-10-6-7-12-19(18)27-4/h6-7,10,12,15-17H,5,8-9,11,13-14H2,1-4H3,(H,22,25)(H,23,26)/t15-,16-,17-/m0/s1
InChIKeyONJKMGMQQVQBRF-ULQDDVLXSA-N
MW375.51 g/mol
LogP2.90
Rot. Bonds8

About N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide

N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide (PubChem CID 11928144) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
PubChem CID11928144
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C21H33N3O3/c1-5-24(13-20(25)22-17-11-8-9-15(2)16(17)3)14-21(26)23-18-10-6-7-12-19(18)27-4/h6-7,10,12,15-17H,5,8-9,11,13-14H2,1-4H3,(H,22,25)(H,23,26)/t15-,16-,17-/m0/s1
InChIKeyONJKMGMQQVQBRF-ULQDDVLXSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide with MolForge

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Related Compounds

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129419826
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11933395
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate
CID 11901398
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544
2-[(2,3-dimethylcyclopentyl)amino]-N-(2-methoxyphenyl)acetamide
CID 64909122
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 11929471
N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 18287366

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide (CID 11928144) is N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide is CCN(CC(=O)Nc1ccccc1OC)CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C.
What is the InChIKey of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is ONJKMGMQQVQBRF-ULQDDVLXSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-5-24(13-20(25)22-17-11-8-9-15(2)16(17)3)14-21(26)23-18-10-6-7-12-19(18)27-4/h6-7,10,12,15-17H,5,8-9,11,13-14H2,1-4H3,(H,22,25)(H,23,26)/t15-,16-,17-/m0/s1.
What are the key properties of N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 11928144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).