2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide

C18H22N2O3 — CID 88651998

IUPAC2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
SMILESCC(Oc1ccc(C(C)N(O)CC(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13(20(22)12-18(19)21)15-8-10-17(11-9-15)23-14(2)16-6-4-3-5-7-16/h3-11,13-14,22H,12H2,1-2H3,(H2,19,21)
InChIKeyHNUOVHKZPVGMSK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.06
Rot. Bonds7

About 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide

2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide (PubChem CID 88651998) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
PubChem CID88651998
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
SMILESCC(Oc1ccc(C(C)N(O)CC(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13(20(22)12-18(19)21)15-8-10-17(11-9-15)23-14(2)16-6-4-3-5-7-16/h3-11,13-14,22H,12H2,1-2H3,(H2,19,21)
InChIKeyHNUOVHKZPVGMSK-UHFFFAOYSA-N
XLogP3.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide
CID 173366531
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
CID 70078273
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
1-hydroxy-1-[[2-[4-(1-phenylethoxy)phenyl]cyclopropyl]methyl]urea
CID 19894164
1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
CID 19868741
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 19868724
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide?
The IUPAC name of 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide (CID 88651998) is 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide.
What is the SMILES notation for 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide?
The canonical SMILES for 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide is CC(Oc1ccc(C(C)N(O)CC(N)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide?
The InChIKey is HNUOVHKZPVGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(20(22)12-18(19)21)15-8-10-17(11-9-15)23-14(2)16-6-4-3-5-7-16/h3-11,13-14,22H,12H2,1-2H3,(H2,19,21).
What are the key properties of 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide?
2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide is sourced from PubChem (CID 88651998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).