N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride

C19H24ClN3O2 — CID 119921330

IUPACN-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CN1CCNCc2ccccc21.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-24-18-9-5-3-7-16(18)13-21-19(23)14-22-11-10-20-12-15-6-2-4-8-17(15)22;/h2-9,20H,10-14H2,1H3,(H,21,23);1H
InChIKeyGROJYQUALRJQEB-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.34
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride (PubChem CID 119921330) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
PubChem CID119921330
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CN1CCNCc2ccccc21.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-24-18-9-5-3-7-16(18)13-21-19(23)14-22-11-10-20-12-15-6-2-4-8-17(15)22;/h2-9,20H,10-14H2,1H3,(H,21,23);1H
InChIKeyGROJYQUALRJQEB-UHFFFAOYSA-N
XLogP2.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
1-[(5-fluoro-2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101496
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686502
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120756974
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
1-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine;hydrochloride
CID 119921238
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171879
N-(3-chloro-2-methylphenyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119921091
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119927680

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride (CID 119921330) is N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride is COc1ccccc1CNC(=O)CN1CCNCc2ccccc21.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The InChIKey is GROJYQUALRJQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-24-18-9-5-3-7-16(18)13-21-19(23)14-22-11-10-20-12-15-6-2-4-8-17(15)22;/h2-9,20H,10-14H2,1H3,(H,21,23);1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119921330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).