ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium

C21H34N3O3+ — CID 11935746

IUPACethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C21H33N3O3/c1-5-24(14-20(25)22-17-10-12-18(27-4)13-11-17)16(3)21(26)23-19-9-7-6-8-15(19)2/h10-13,15-16,19H,5-9,14H2,1-4H3,(H,22,25)(H,23,26)/p+1/t15-,16+,19+/m0/s1
InChIKeyQYDLSBKLAJXXMR-FRQCXROJSA-O
MW376.52 g/mol
LogP1.62
Rot. Bonds8

About ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium (PubChem CID 11935746) has the molecular formula C21H34N3O3+ and a molecular weight of 376.52 g/mol. Its IUPAC name is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
PubChem CID11935746
Molecular FormulaC21H34N3O3+
Molecular Weight376.52 g/mol
Exact Mass376.26
IUPAC Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C21H33N3O3/c1-5-24(14-20(25)22-17-10-12-18(27-4)13-11-17)16(3)21(26)23-19-9-7-6-8-15(19)2/h10-13,15-16,19H,5-9,14H2,1-4H3,(H,22,25)(H,23,26)/p+1/t15-,16+,19+/m0/s1
InChIKeyQYDLSBKLAJXXMR-FRQCXROJSA-O
XLogP1.62
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 11933678
[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 11935738
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 9026866
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9252943
[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9026853
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9027123
(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9318759
(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8557325
1-(4-methoxyphenyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8616277
N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide
CID 55345343
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556131
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
CID 75125584

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium (CID 11935746) is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
The InChIKey is QYDLSBKLAJXXMR-FRQCXROJSA-O. The full InChI is InChI=1S/C21H33N3O3/c1-5-24(14-20(25)22-17-10-12-18(27-4)13-11-17)16(3)21(26)23-19-9-7-6-8-15(19)2/h10-13,15-16,19H,5-9,14H2,1-4H3,(H,22,25)(H,23,26)/p+1/t15-,16+,19+/m0/s1.
What are the key properties of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium?
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium has a molecular weight of 376.52 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 11935746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).