[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

C21H29N2O+ — CID 8717851

IUPAC[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc2ccccc12
InChIInChI=1S/C21H28N2O/c1-15-8-3-6-13-20(15)23-21(24)14-22-16(2)18-12-7-10-17-9-4-5-11-19(17)18/h4-5,7,9-12,15-16,20,22H,3,6,8,13-14H2,1-2H3,(H,23,24)/p+1/t15-,16+,20-/m1/s1
InChIKeyXIAROLRYEVAVJV-GQIGUUNPSA-O
MW325.48 g/mol
LogP3.16
Rot. Bonds5

About [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (PubChem CID 8717851) has the molecular formula C21H29N2O+ and a molecular weight of 325.48 g/mol. Its IUPAC name is [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
PubChem CID8717851
Molecular FormulaC21H29N2O+
Molecular Weight325.48 g/mol
Exact Mass325.23
IUPAC Name[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc2ccccc12
InChIInChI=1S/C21H28N2O/c1-15-8-3-6-13-20(15)23-21(24)14-22-16(2)18-12-7-10-17-9-4-5-11-19(17)18/h4-5,7,9-12,15-16,20,22H,3,6,8,13-14H2,1-2H3,(H,23,24)/p+1/t15-,16+,20-/m1/s1
InChIKeyXIAROLRYEVAVJV-GQIGUUNPSA-O
XLogP3.16
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8594454
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132177
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 8695507
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8710655
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396803
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (CID 8717851) is [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc2ccccc12.
What is the InChIKey of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is XIAROLRYEVAVJV-GQIGUUNPSA-O. The full InChI is InChI=1S/C21H28N2O/c1-15-8-3-6-13-20(15)23-21(24)14-22-16(2)18-12-7-10-17-9-4-5-11-19(17)18/h4-5,7,9-12,15-16,20,22H,3,6,8,13-14H2,1-2H3,(H,23,24)/p+1/t15-,16+,20-/m1/s1.
What are the key properties of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 325.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 8717851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).