N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide

C17H27N3O — CID 63101585

IUPACN-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCCC(CC)NC(=O)C(C)N1CCNCc2ccccc21
InChIInChI=1S/C17H27N3O/c1-4-15(5-2)19-17(21)13(3)20-11-10-18-12-14-8-6-7-9-16(14)20/h6-9,13,15,18H,4-5,10-12H2,1-3H3,(H,19,21)
InChIKeyVTKZWBSESNCCJA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.29
Rot. Bonds5

About N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide

N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (PubChem CID 63101585) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
PubChem CID63101585
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCCC(CC)NC(=O)C(C)N1CCNCc2ccccc21
InChIInChI=1S/C17H27N3O/c1-4-15(5-2)19-17(21)13(3)20-11-10-18-12-14-8-6-7-9-16(14)20/h6-9,13,15,18H,4-5,10-12H2,1-3H3,(H,19,21)
InChIKeyVTKZWBSESNCCJA-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 55177662
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101431
1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)butan-2-ol
CID 63100698
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101229
N-ethyl-N-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 79163104
1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)hexan-1-one
CID 55178426
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2,2-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanoic acid
CID 79621763
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-3-carboxylic acid
CID 80564305
1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)but-2-yn-1-one
CID 107990256
N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119920998

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The IUPAC name of N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (CID 63101585) is N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.
What is the SMILES notation for N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The canonical SMILES for N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is CCC(CC)NC(=O)C(C)N1CCNCc2ccccc21.
What is the InChIKey of N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The InChIKey is VTKZWBSESNCCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-15(5-2)19-17(21)13(3)20-11-10-18-12-14-8-6-7-9-16(14)20/h6-9,13,15,18H,4-5,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is sourced from PubChem (CID 63101585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).