N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid

C21H26N2O8 — CID 13030874

IUPACN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
SMILESO=C(COc1ccccc1)NCCNCC(O)COc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O4.C2H2O4/c22-16(14-24-17-7-3-1-4-8-17)13-20-11-12-21-19(23)15-25-18-9-5-2-6-10-18;3-1(4)2(5)6/h1-10,16,20,22H,11-15H2,(H,21,23);(H,3,4)(H,5,6)
InChIKeyOQCKRFNDUAMVEB-UHFFFAOYSA-N
MW434.45 g/mol
LogP0.37
Rot. Bonds11

About N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid (PubChem CID 13030874) has the molecular formula C21H26N2O8 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
PubChem CID13030874
Molecular FormulaC21H26N2O8
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
SMILESO=C(COc1ccccc1)NCCNCC(O)COc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O4.C2H2O4/c22-16(14-24-17-7-3-1-4-8-17)13-20-11-12-21-19(23)15-25-18-9-5-2-6-10-18;3-1(4)2(5)6/h1-10,16,20,22H,11-15H2,(H,21,23);(H,3,4)(H,5,6)
InChIKeyOQCKRFNDUAMVEB-UHFFFAOYSA-N
XLogP0.37
TPSA154.42 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 21426688
2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
CID 13030863
N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide
CID 23127035
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
CID 15174968
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid?
The IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid (CID 13030874) is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid.
What is the SMILES notation for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid?
The canonical SMILES for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid is O=C(COc1ccccc1)NCCNCC(O)COc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid?
The InChIKey is OQCKRFNDUAMVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4.C2H2O4/c22-16(14-24-17-7-3-1-4-8-17)13-20-11-12-21-19(23)15-25-18-9-5-2-6-10-18;3-1(4)2(5)6/h1-10,16,20,22H,11-15H2,(H,21,23);(H,3,4)(H,5,6).
What are the key properties of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid?
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid has a molecular weight of 434.45 g/mol, XLogP of 0.37, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid is sourced from PubChem (CID 13030874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).