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

C14H21N3O — CID 63101352

IUPACN,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCN(C)C(=O)CCN1CCNCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)7-9-17-10-8-15-11-12-5-3-4-6-13(12)17/h3-6,15H,7-11H2,1-2H3
InChIKeyCUKDDFIWGNRAOZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.07
Rot. Bonds3

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

N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (PubChem CID 63101352) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
PubChem CID63101352
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCN(C)C(=O)CCN1CCNCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)7-9-17-10-8-15-11-12-5-3-4-6-13(12)17/h3-6,15H,7-11H2,1-2H3
InChIKeyCUKDDFIWGNRAOZ-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (CID 63101352) is N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is CN(C)C(=O)CCN1CCNCc2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The InChIKey is CUKDDFIWGNRAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)7-9-17-10-8-15-11-12-5-3-4-6-13(12)17/h3-6,15H,7-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is sourced from PubChem (CID 63101352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).