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

C20H26ClN3O — CID 119921076

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CN1CCNCc2ccccc21.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-16-7-3-4-9-18(16)14-22(2)20(24)15-23-12-11-21-13-17-8-5-6-10-19(17)23;/h3-10,21H,11-15H2,1-2H3;1H
InChIKeyRXMCYWVHCVJZGR-UHFFFAOYSA-N
MW359.90 g/mol
LogP2.99
Rot. Bonds4

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

N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride (PubChem CID 119921076) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
PubChem CID119921076
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CN1CCNCc2ccccc21.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-16-7-3-4-9-18(16)14-22(2)20(24)15-23-12-11-21-13-17-8-5-6-10-19(17)23;/h3-10,21H,11-15H2,1-2H3;1H
InChIKeyRXMCYWVHCVJZGR-UHFFFAOYSA-N
XLogP2.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
CID 119920997
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119921259
N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119920998
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120663847
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119915006
N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101352
3-(2-methylphenyl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one
CID 119521252
2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119933281
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119923943
1-[(2,3-dimethylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101399
1-(azetidin-1-yl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone
CID 63101653
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride (CID 119921076) is N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride is Cc1ccccc1CN(C)C(=O)CN1CCNCc2ccccc21.Cl.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The InChIKey is RXMCYWVHCVJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.ClH/c1-16-7-3-4-9-18(16)14-22(2)20(24)15-23-12-11-21-13-17-8-5-6-10-19(17)23;/h3-10,21H,11-15H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119921076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).