N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide

C18H22N2O3 — CID 21426688

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-17(15-7-3-1-4-8-15)13-19-11-12-20-18(22)14-23-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyGESCCEANKMFMEN-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.50
Rot. Bonds9

About N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide (PubChem CID 21426688) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
PubChem CID21426688
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-17(15-7-3-1-4-8-15)13-19-11-12-20-18(22)14-23-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyGESCCEANKMFMEN-UHFFFAOYSA-N
XLogP1.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide (CID 21426688) is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCNCC(O)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
The InChIKey is GESCCEANKMFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(15-7-3-1-4-8-15)13-19-11-12-20-18(22)14-23-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22).
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide?
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide has a molecular weight of 314.38 g/mol, XLogP of 1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 21426688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).