[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium

C20H25N2O3+ — CID 8898094

IUPAC[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-20(24)17-9-11-18(12-10-17)22-19(23)13-21-15(3)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,23)/p+1/t15-/m1/s1
InChIKeyRJBQMGNRHXANOA-OAHLLOKOSA-O
MW341.43 g/mol
LogP2.51
Rot. Bonds7

About [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 8898094) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID8898094
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-20(24)17-9-11-18(12-10-17)22-19(23)13-21-15(3)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,23)/p+1/t15-/m1/s1
InChIKeyRJBQMGNRHXANOA-OAHLLOKOSA-O
XLogP2.51
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8755919
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8772437
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 9031907
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
propan-2-yl 4-(1-phenylethylamino)benzoate
CID 43226962
[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684071
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium (CID 8898094) is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium is CC(C)OC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is RJBQMGNRHXANOA-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)25-20(24)17-9-11-18(12-10-17)22-19(23)13-21-15(3)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,23)/p+1/t15-/m1/s1.
What are the key properties of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium?
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 341.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 8898094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).