(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium

C17H21N2O+ — CID 7160969

IUPAC(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium
SMILESCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13(16-6-4-3-5-7-16)18-12-15-8-10-17(11-9-15)19-14(2)20/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyHQIQIUMHJFEKMN-CYBMUJFWSA-O
MW269.37 g/mol
LogP2.47
Rot. Bonds5

About (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium

(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium (PubChem CID 7160969) has the molecular formula C17H21N2O+ and a molecular weight of 269.37 g/mol. Its IUPAC name is (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium
PubChem CID7160969
Molecular FormulaC17H21N2O+
Molecular Weight269.37 g/mol
Exact Mass269.16
IUPAC Name(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium
SMILESCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-13(16-6-4-3-5-7-16)18-12-15-8-10-17(11-9-15)19-14(2)20/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyHQIQIUMHJFEKMN-CYBMUJFWSA-O
XLogP2.47
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[[(1R)-1-phenylethyl]azaniumyl]methyl]benzoate
CID 7160959
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 9031907
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747
(4-acetamidophenyl)methyl [(1S,2R)-2-amino-1-phenylpropyl] carbonate
CID 58680700
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
(2R)-N-[2-(4-acetamidophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95316508
(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate
CID 5289359

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium?
The IUPAC name of (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium (CID 7160969) is (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium is CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1.
What is the InChIKey of (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium?
The InChIKey is HQIQIUMHJFEKMN-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H20N2O/c1-13(16-6-4-3-5-7-16)18-12-15-8-10-17(11-9-15)19-14(2)20/h3-11,13,18H,12H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1.
What are the key properties of (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium?
(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium has a molecular weight of 269.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 7160969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).