[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

C24H27N2O2+ — CID 9391938

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O2/c1-17-13-15-20(16-14-17)23(19-9-5-4-6-10-19)25-18(2)24(27)26-21-11-7-8-12-22(21)28-3/h4-16,18,23,25H,1-3H3,(H,26,27)/p+1/t18-,23-/m0/s1
InChIKeyKAZQYAMNVPBBLQ-MBSDFSHPSA-O
MW375.49 g/mol
LogP3.68
Rot. Bonds7

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 9391938) has the molecular formula C24H27N2O2+ and a molecular weight of 375.49 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID9391938
Molecular FormulaC24H27N2O2+
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O2/c1-17-13-15-20(16-14-17)23(19-9-5-4-6-10-19)25-18(2)24(27)26-21-11-7-8-12-22(21)28-3/h4-16,18,23,25H,1-3H3,(H,26,27)/p+1/t18-,23-/m0/s1
InChIKeyKAZQYAMNVPBBLQ-MBSDFSHPSA-O
XLogP3.68
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8545459
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051311
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051308
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132433
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641282
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052114
N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide
CID 7375059
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391958
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (CID 9391938) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is KAZQYAMNVPBBLQ-MBSDFSHPSA-O. The full InChI is InChI=1S/C24H26N2O2/c1-17-13-15-20(16-14-17)23(19-9-5-4-6-10-19)25-18(2)24(27)26-21-11-7-8-12-22(21)28-3/h4-16,18,23,25H,1-3H3,(H,26,27)/p+1/t18-,23-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 375.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 9391938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).