[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

C19H31N2O+ — CID 9132177

IUPAC[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-14(2)19(16-10-5-4-6-11-16)20-13-18(22)21-17-12-8-7-9-15(17)3/h4-6,10-11,14-15,17,19-20H,7-9,12-13H2,1-3H3,(H,21,22)/p+1/t15-,17+,19-/m1/s1
InChIKeyZCCUSAQPFFBIGK-HHXXYDBFSA-O
MW303.47 g/mol
LogP2.64
Rot. Bonds6

About [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9132177) has the molecular formula C19H31N2O+ and a molecular weight of 303.47 g/mol. Its IUPAC name is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
PubChem CID9132177
Molecular FormulaC19H31N2O+
Molecular Weight303.47 g/mol
Exact Mass303.24
IUPAC Name[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-14(2)19(16-10-5-4-6-11-16)20-13-18(22)21-17-12-8-7-9-15(17)3/h4-6,10-11,14-15,17,19-20H,7-9,12-13H2,1-3H3,(H,21,22)/p+1/t15-,17+,19-/m1/s1
InChIKeyZCCUSAQPFFBIGK-HHXXYDBFSA-O
XLogP2.64
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium with MolForge

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Related Compounds

[(1S)-1-(2-bromophenyl)ethyl]-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8676759
[(1S)-1-(2-bromophenyl)ethyl]-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8676764
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 8717851
2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8710655
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9131705
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8594454
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 11916917
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 11935883

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (CID 9132177) is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is CC(C)[C@@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1.
What is the InChIKey of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is ZCCUSAQPFFBIGK-HHXXYDBFSA-O. The full InChI is InChI=1S/C19H30N2O/c1-14(2)19(16-10-5-4-6-11-16)20-13-18(22)21-17-12-8-7-9-15(17)3/h4-6,10-11,14-15,17,19-20H,7-9,12-13H2,1-3H3,(H,21,22)/p+1/t15-,17+,19-/m1/s1.
What are the key properties of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 303.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9132177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).