trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium

C24H41N2O2+ — CID 167121855

IUPACtrimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccccc1OCC[N+](C)(C)C
InChIInChI=1S/C24H40N2O2/c1-18(2)21-12-11-19(3)17-22(21)24(27)25-14-13-20-9-7-8-10-23(20)28-16-15-26(4,5)6/h7-10,18-19,21-22H,11-17H2,1-6H3/p+1/t19-,21+,22-/m1/s1
InChIKeySWSUCXRBGQZNSR-BAGYTPMASA-O
MW389.60 g/mol
LogP4.14
Rot. Bonds9

About trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium

trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium (PubChem CID 167121855) has the molecular formula C24H41N2O2+ and a molecular weight of 389.60 g/mol. Its IUPAC name is trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium
PubChem CID167121855
Molecular FormulaC24H41N2O2+
Molecular Weight389.60 g/mol
Exact Mass389.32
IUPAC Nametrimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccccc1OCC[N+](C)(C)C
InChIInChI=1S/C24H40N2O2/c1-18(2)21-12-11-19(3)17-22(21)24(27)25-14-13-20-9-7-8-10-23(20)28-16-15-26(4,5)6/h7-10,18-19,21-22H,11-17H2,1-6H3/p+1/t19-,21+,22-/m1/s1
InChIKeySWSUCXRBGQZNSR-BAGYTPMASA-O
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,5R)-N-[2-[2-(3-hydroxypropoxy)phenyl]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 167121814
trans-(1R,5R)-N-[2-(2-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477186
N-[2-(2-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831515
methyl 2-[2-[[(1R,2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]benzoate
CID 167121819
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
methyl 2-amino-3-[2-[2-[[(1R,2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenyl]propanoate
CID 167121766
(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992203
(1R,2S,5R)-N-[2-(3-hydroxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992196
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
(1R,2S,5R)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992202
methyl 3-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]benzoate
CID 164537973
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium?
The IUPAC name of trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium (CID 167121855) is trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccccc1OCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium?
The InChIKey is SWSUCXRBGQZNSR-BAGYTPMASA-O. The full InChI is InChI=1S/C24H40N2O2/c1-18(2)21-12-11-19(3)17-22(21)24(27)25-14-13-20-9-7-8-10-23(20)28-16-15-26(4,5)6/h7-10,18-19,21-22H,11-17H2,1-6H3/p+1/t19-,21+,22-/m1/s1.
What are the key properties of trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium?
trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium has a molecular weight of 389.60 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium is sourced from PubChem (CID 167121855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).