N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride

C19H32ClN3O — CID 119920997

IUPACN,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCNCc2ccccc21.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-15(2)12-22(13-16(3)4)19(23)14-21-10-9-20-11-17-7-5-6-8-18(17)21;/h5-8,15-16,20H,9-14H2,1-4H3;1H
InChIKeySLBUYTXTTWGVSD-UHFFFAOYSA-N
MW353.94 g/mol
LogP3.16
Rot. Bonds6

About N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride

N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride (PubChem CID 119920997) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
PubChem CID119920997
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC NameN,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCNCc2ccccc21.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-15(2)12-22(13-16(3)4)19(23)14-21-10-9-20-11-17-7-5-6-8-18(17)21;/h5-8,15-16,20H,9-14H2,1-4H3;1H
InChIKeySLBUYTXTTWGVSD-UHFFFAOYSA-N
XLogP3.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The IUPAC name of N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride (CID 119920997) is N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride is CC(C)CN(CC(C)C)C(=O)CN1CCNCc2ccccc21.Cl.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
The InChIKey is SLBUYTXTTWGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-15(2)12-22(13-16(3)4)19(23)14-21-10-9-20-11-17-7-5-6-8-18(17)21;/h5-8,15-16,20H,9-14H2,1-4H3;1H.
What are the key properties of N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride?
N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119920997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).