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

C18H23ClN2O3 — CID 13030858

IUPACN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.O=C(NCCNCC(O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3.ClH/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);1H
InChIKeyWKNWQVRIMUYOES-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.87
Rot. Bonds9

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

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride (PubChem CID 13030858) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride
PubChem CID13030858
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.O=C(NCCNCC(O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3.ClH/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);1H
InChIKeyWKNWQVRIMUYOES-UHFFFAOYSA-N
XLogP1.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.87
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;hydrochloride?
The IUPAC name of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride (CID 13030858) is N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride is Cl.O=C(NCCNCC(O)COc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride?
The InChIKey is WKNWQVRIMUYOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/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);1H.
What are the key properties of N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride?
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.87, 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;hydrochloride is sourced from PubChem (CID 13030858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).