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

C19H31N3O — CID 119920998

IUPACN,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCNCc2ccccc21
InChIInChI=1S/C19H31N3O/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
InChIKeyZTCPOGVYCHGBDT-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.74
Rot. Bonds6

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

N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 119920998) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
PubChem CID119920998
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCNCc2ccccc21
InChIInChI=1S/C19H31N3O/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
InChIKeyZTCPOGVYCHGBDT-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.74
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?
The IUPAC name of N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide (CID 119920998) is N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide is CC(C)CN(CC(C)C)C(=O)CN1CCNCc2ccccc21.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is ZTCPOGVYCHGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/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.
What are the key properties of N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide?
N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.74, 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 is sourced from PubChem (CID 119920998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).