(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate

C19H22N2O4 — CID 58680700

IUPAC(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate
SMILESCC(=O)Nc1ccc(COC(=O)O[C@@H](c2ccccc2)[C@@H](C)N)cc1
InChIInChI=1S/C19H22N2O4/c1-13(20)18(16-6-4-3-5-7-16)25-19(23)24-12-15-8-10-17(11-9-15)21-14(2)22/h3-11,13,18H,12,20H2,1-2H3,(H,21,22)/t13-,18-/m1/s1
InChIKeyYBOPGCICAUKEPF-FZKQIMNGSA-N
MW342.40 g/mol
LogP3.39
Rot. Bonds6

About (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate

(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate (PubChem CID 58680700) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate.

Molecular Properties

Compound Name(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate
PubChem CID58680700
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate
SMILESCC(=O)Nc1ccc(COC(=O)O[C@@H](c2ccccc2)[C@@H](C)N)cc1
InChIInChI=1S/C19H22N2O4/c1-13(20)18(16-6-4-3-5-7-16)25-19(23)24-12-15-8-10-17(11-9-15)21-14(2)22/h3-11,13,18H,12,20H2,1-2H3,(H,21,22)/t13-,18-/m1/s1
InChIKeyYBOPGCICAUKEPF-FZKQIMNGSA-N
XLogP3.39
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
CID 7957948
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 7160969
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7810977
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
benzyl (4-acetamidophenyl)sulfanylformate
CID 5325418
propan-2-yl (2S)-3-(4-acetamidophenyl)-2-aminopropanoate;hydrochloride
CID 170693109
benzyl N-[(2S,3R)-1-(4-acetamidoanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 2412972
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611777
(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate
CID 5289359

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate?
The IUPAC name of (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate (CID 58680700) is (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate.
What is the SMILES notation for (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate?
The canonical SMILES for (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate is CC(=O)Nc1ccc(COC(=O)O[C@@H](c2ccccc2)[C@@H](C)N)cc1.
What is the InChIKey of (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate?
The InChIKey is YBOPGCICAUKEPF-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(20)18(16-6-4-3-5-7-16)25-19(23)24-12-15-8-10-17(11-9-15)21-14(2)22/h3-11,13,18H,12,20H2,1-2H3,(H,21,22)/t13-,18-/m1/s1.
What are the key properties of (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate?
(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate has a molecular weight of 342.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate is sourced from PubChem (CID 58680700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).