N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide

C17H20N2O3 — CID 18628201

IUPACN-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C(O)CN)ccc1OCc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-12(20)19-15-9-14(16(21)10-18)7-8-17(15)22-11-13-5-3-2-4-6-13/h2-9,16,21H,10-11,18H2,1H3,(H,19,20)
InChIKeyRJUAPBDUGSBDJY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.22
Rot. Bonds6

About N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide

N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide (PubChem CID 18628201) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide
PubChem CID18628201
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C(O)CN)ccc1OCc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-12(20)19-15-9-14(16(21)10-18)7-8-17(15)22-11-13-5-3-2-4-6-13/h2-9,16,21H,10-11,18H2,1H3,(H,19,20)
InChIKeyRJUAPBDUGSBDJY-UHFFFAOYSA-N
XLogP2.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide?
The IUPAC name of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide (CID 18628201) is N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide?
The canonical SMILES for N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide is CC(=O)Nc1cc(C(O)CN)ccc1OCc1ccccc1.
What is the InChIKey of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide?
The InChIKey is RJUAPBDUGSBDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(20)19-15-9-14(16(21)10-18)7-8-17(15)22-11-13-5-3-2-4-6-13/h2-9,16,21H,10-11,18H2,1H3,(H,19,20).
What are the key properties of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide?
N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]acetamide is sourced from PubChem (CID 18628201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).