cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium

C23H31N2O2+ — CID 8875841

IUPACcyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N+](C)(C)C1CCCC1
InChIInChI=1S/C23H30N2O2/c1-18(25(2,3)21-11-7-8-12-21)23(26)24-20-13-15-22(16-14-20)27-17-19-9-5-4-6-10-19/h4-6,9-10,13-16,18,21H,7-8,11-12,17H2,1-3H3/p+1/t18-/m1/s1
InChIKeyNIHYXBVDHGBZPE-GOSISDBHSA-O
MW367.51 g/mol
LogP4.61
Rot. Bonds7

About cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium

cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium (PubChem CID 8875841) has the molecular formula C23H31N2O2+ and a molecular weight of 367.51 g/mol. Its IUPAC name is cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium.

Molecular Properties

Compound Namecyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
PubChem CID8875841
Molecular FormulaC23H31N2O2+
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Namecyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N+](C)(C)C1CCCC1
InChIInChI=1S/C23H30N2O2/c1-18(25(2,3)21-11-7-8-12-21)23(26)24-20-13-15-22(16-14-20)27-17-19-9-5-4-6-10-19/h4-6,9-10,13-16,18,21H,7-8,11-12,17H2,1-3H3/p+1/t18-/m1/s1
InChIKeyNIHYXBVDHGBZPE-GOSISDBHSA-O
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]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

cyclooctyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 2317950
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2S)-N-(4-phenylmethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 7045428
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] cyclohex-3-ene-1-carboxylate
CID 46788126
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
The IUPAC name of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium (CID 8875841) is cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium.
What is the SMILES notation for cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
The canonical SMILES for cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium is C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N+](C)(C)C1CCCC1.
What is the InChIKey of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
The InChIKey is NIHYXBVDHGBZPE-GOSISDBHSA-O. The full InChI is InChI=1S/C23H30N2O2/c1-18(25(2,3)21-11-7-8-12-21)23(26)24-20-13-15-22(16-14-20)27-17-19-9-5-4-6-10-19/h4-6,9-10,13-16,18,21H,7-8,11-12,17H2,1-3H3/p+1/t18-/m1/s1.
What are the key properties of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium has a molecular weight of 367.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium is sourced from PubChem (CID 8875841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).