[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium

C20H27N2O2+ — CID 9132433

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C20H26N2O2/c1-14(2)19(16-10-6-5-7-11-16)21-15(3)20(23)22-17-12-8-9-13-18(17)24-4/h5-15,19,21H,1-4H3,(H,22,23)/p+1/t15-,19-/m1/s1
InChIKeyWLOFXPQGPPYCOS-DNVCBOLYSA-O
MW327.45 g/mol
LogP2.98
Rot. Bonds7

About [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9132433) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
PubChem CID9132433
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C20H26N2O2/c1-14(2)19(16-10-6-5-7-11-16)21-15(3)20(23)22-17-12-8-9-13-18(17)24-4/h5-15,19,21H,1-4H3,(H,22,23)/p+1/t15-,19-/m1/s1
InChIKeyWLOFXPQGPPYCOS-DNVCBOLYSA-O
XLogP2.98
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium with MolForge

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Related Compounds

benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8545459
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051311
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051308
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
2-[(2,2-diphenylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 990917
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium (CID 9132433) is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium is COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is WLOFXPQGPPYCOS-DNVCBOLYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)19(16-10-6-5-7-11-16)21-15(3)20(23)22-17-12-8-9-13-18(17)24-4/h5-15,19,21H,1-4H3,(H,22,23)/p+1/t15-,19-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 327.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9132433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).