N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid

C21H26N2O6 — CID 70628020

IUPACN-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid
SMILESC[C@H](CNC(=O)Cc1ccccc1)NC[C@H](O)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O2.C2H2O4/c1-15(20-14-18(22)17-10-6-3-7-11-17)13-21-19(23)12-16-8-4-2-5-9-16;3-1(4)2(5)6/h2-11,15,18,20,22H,12-14H2,1H3,(H,21,23);(H,3,4)(H,5,6)/t15-,18+;/m1./s1
InChIKeyRVLBRWXVFJWIML-CFILVAQYSA-N
MW402.45 g/mol
LogP1.21
Rot. Bonds8

About N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid

N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid (PubChem CID 70628020) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid.

Molecular Properties

Compound NameN-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid
PubChem CID70628020
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC NameN-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid
SMILESC[C@H](CNC(=O)Cc1ccccc1)NC[C@H](O)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O2.C2H2O4/c1-15(20-14-18(22)17-10-6-3-7-11-17)13-21-19(23)12-16-8-4-2-5-9-16;3-1(4)2(5)6/h2-11,15,18,20,22H,12-14H2,1H3,(H,21,23);(H,3,4)(H,5,6)/t15-,18+;/m1./s1
InChIKeyRVLBRWXVFJWIML-CFILVAQYSA-N
XLogP1.21
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 54203052
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
2-(2-aminophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43498529
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
CID 22873127
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid?
The IUPAC name of N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid (CID 70628020) is N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid.
What is the SMILES notation for N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid?
The canonical SMILES for N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid is C[C@H](CNC(=O)Cc1ccccc1)NC[C@H](O)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid?
The InChIKey is RVLBRWXVFJWIML-CFILVAQYSA-N. The full InChI is InChI=1S/C19H24N2O2.C2H2O4/c1-15(20-14-18(22)17-10-6-3-7-11-17)13-21-19(23)12-16-8-4-2-5-9-16;3-1(4)2(5)6/h2-11,15,18,20,22H,12-14H2,1H3,(H,21,23);(H,3,4)(H,5,6)/t15-,18+;/m1./s1.
What are the key properties of N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid?
N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid has a molecular weight of 402.45 g/mol, XLogP of 1.21, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid is sourced from PubChem (CID 70628020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).