[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

C20H25N2O3+ — CID 9131730

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)19(15-7-5-4-6-8-15)21-13-18(23)22-17-11-9-16(10-12-17)20(24)25-3/h4-12,14,19,21H,13H2,1-3H3,(H,22,23)/p+1/t19-/m1/s1
InChIKeyNYRXDZPHPGYNCC-LJQANCHMSA-O
MW341.43 g/mol
LogP2.37
Rot. Bonds7

About [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9131730) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
PubChem CID9131730
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)19(15-7-5-4-6-8-15)21-13-18(23)22-17-11-9-16(10-12-17)20(24)25-3/h4-12,14,19,21H,13H2,1-3H3,(H,22,23)/p+1/t19-/m1/s1
InChIKeyNYRXDZPHPGYNCC-LJQANCHMSA-O
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131601
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132583
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992030
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992000
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium
CID 9133102
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834546
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9133344

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (CID 9131730) is [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is COC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is NYRXDZPHPGYNCC-LJQANCHMSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)19(15-7-5-4-6-8-15)21-13-18(23)22-17-11-9-16(10-12-17)20(24)25-3/h4-12,14,19,21H,13H2,1-3H3,(H,22,23)/p+1/t19-/m1/s1.
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 341.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9131730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).