N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide

C18H22N2O3 — CID 13030857

IUPACN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide
SMILESO=C(NCCNCC(O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-16(14-23-17-9-5-2-6-10-17)13-19-11-12-20-18(22)15-7-3-1-4-8-15/h1-10,16,19,21H,11-14H2,(H,20,22)
InChIKeyRENGVVYELIHMGI-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.45
Rot. Bonds9

About N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide (PubChem CID 13030857) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide
PubChem CID13030857
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide
SMILESO=C(NCCNCC(O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c21-16(14-23-17-9-5-2-6-10-17)13-19-11-12-20-18(22)15-7-3-1-4-8-15/h1-10,16,19,21H,11-14H2,(H,20,22)
InChIKeyRENGVVYELIHMGI-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide (CID 13030857) is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide is O=C(NCCNCC(O)COc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide?
The InChIKey is RENGVVYELIHMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16(14-23-17-9-5-2-6-10-17)13-19-11-12-20-18(22)15-7-3-1-4-8-15/h1-10,16,19,21H,11-14H2,(H,20,22).
What are the key properties of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide?
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide has a molecular weight of 314.38 g/mol, XLogP of 1.45, 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-3-phenoxypropyl)amino]ethyl]benzamide is sourced from PubChem (CID 13030857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).