cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium

C23H31N2O2+ — CID 8770583

IUPACcyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
SMILESCOc1ccc(C[NH+](C2CC2)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H30N2O2/c1-15-12-16(2)22(17(3)13-15)24-23(26)18(4)25(20-8-9-20)14-19-6-10-21(27-5)11-7-19/h6-7,10-13,18,20H,8-9,14H2,1-5H3,(H,24,26)/p+1/t18-/m1/s1
InChIKeyOTDZJKQAMAMQHR-GOSISDBHSA-O
MW367.51 g/mol
LogP3.19
Rot. Bonds7

About cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium

cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium (PubChem CID 8770583) has the molecular formula C23H31N2O2+ and a molecular weight of 367.51 g/mol. Its IUPAC name is cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
PubChem CID8770583
Molecular FormulaC23H31N2O2+
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Namecyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
SMILESCOc1ccc(C[NH+](C2CC2)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H30N2O2/c1-15-12-16(2)22(17(3)13-15)24-23(26)18(4)25(20-8-9-20)14-19-6-10-21(27-5)11-7-19/h6-7,10-13,18,20H,8-9,14H2,1-5H3,(H,24,26)/p+1/t18-/m1/s1
InChIKeyOTDZJKQAMAMQHR-GOSISDBHSA-O
XLogP3.19
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium with MolForge

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Related Compounds

(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9265127
cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium
CID 8770819
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9027123
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
(3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 8516271
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622472
(2,4-dimethylphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9045864
4-[2-(4-methoxyphenyl)ethyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113109503
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952507

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
The IUPAC name of cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium (CID 8770583) is cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium.
What is the SMILES notation for cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
The canonical SMILES for cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium is COc1ccc(C[NH+](C2CC2)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
The InChIKey is OTDZJKQAMAMQHR-GOSISDBHSA-O. The full InChI is InChI=1S/C23H30N2O2/c1-15-12-16(2)22(17(3)13-15)24-23(26)18(4)25(20-8-9-20)14-19-6-10-21(27-5)11-7-19/h6-7,10-13,18,20H,8-9,14H2,1-5H3,(H,24,26)/p+1/t18-/m1/s1.
What are the key properties of cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium?
cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium has a molecular weight of 367.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium is sourced from PubChem (CID 8770583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).