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

C19H25N2O+ — CID 8640864

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-4-20-19(22)15(3)21-18(16-8-6-5-7-9-16)17-12-10-14(2)11-13-17/h5-13,15,18,21H,4H2,1-3H3,(H,20,22)/p+1/t15-,18+/m1/s1
InChIKeyBQIQVXUCRSRTOJ-QAPCUYQASA-O
MW297.42 g/mol
LogP2.17
Rot. Bonds6

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

[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 8640864) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID8640864
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-4-20-19(22)15(3)21-18(16-8-6-5-7-9-16)17-12-10-14(2)11-13-17/h5-13,15,18,21H,4H2,1-3H3,(H,20,22)/p+1/t15-,18+/m1/s1
InChIKeyBQIQVXUCRSRTOJ-QAPCUYQASA-O
XLogP2.17
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium
CID 9445876
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830727
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830749
[(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
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641282
[(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
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392181
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392111
benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 9445898

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (CID 8640864) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is BQIQVXUCRSRTOJ-QAPCUYQASA-O. The full InChI is InChI=1S/C19H24N2O/c1-4-20-19(22)15(3)21-18(16-8-6-5-7-9-16)17-12-10-14(2)11-13-17/h5-13,15,18,21H,4H2,1-3H3,(H,20,22)/p+1/t15-,18+/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 297.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 8640864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).