2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one

C19H23N3O — CID 119891407

IUPAC2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-15(20)19(23)22-13-7-12-21(14-16-8-3-2-4-9-16)17-10-5-6-11-18(17)22/h2-6,8-11,15H,7,12-14,20H2,1H3
InChIKeyJFXIETQACXDRRM-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one

2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one (PubChem CID 119891407) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one
PubChem CID119891407
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-15(20)19(23)22-13-7-12-21(14-16-8-3-2-4-9-16)17-10-5-6-11-18(17)22/h2-6,8-11,15H,7,12-14,20H2,1H3
InChIKeyJFXIETQACXDRRM-UHFFFAOYSA-N
XLogP2.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one (CID 119891407) is 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one is CC(N)C(=O)N1CCCN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one?
The InChIKey is JFXIETQACXDRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(20)19(23)22-13-7-12-21(14-16-8-3-2-4-9-16)17-10-5-6-11-18(17)22/h2-6,8-11,15H,7,12-14,20H2,1H3.
What are the key properties of 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one?
2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one is sourced from PubChem (CID 119891407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).