N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide

C20H22N4O — CID 58652780

IUPACN,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
SMILESCC(=O)N(C)N(C)C1=Nc2ccccc2C(c2ccccc2)=NC1C
InChIInChI=1S/C20H22N4O/c1-14-20(24(4)23(3)15(2)25)22-18-13-9-8-12-17(18)19(21-14)16-10-6-5-7-11-16/h5-14H,1-4H3
InChIKeyLOGZFQKXIHRVNV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.28
Rot. Bonds1

About N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide

N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide (PubChem CID 58652780) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
PubChem CID58652780
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
SMILESCC(=O)N(C)N(C)C1=Nc2ccccc2C(c2ccccc2)=NC1C
InChIInChI=1S/C20H22N4O/c1-14-20(24(4)23(3)15(2)25)22-18-13-9-8-12-17(18)19(21-14)16-10-6-5-7-11-16/h5-14H,1-4H3
InChIKeyLOGZFQKXIHRVNV-UHFFFAOYSA-N
XLogP3.28
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
The IUPAC name of N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide (CID 58652780) is N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
The canonical SMILES for N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide is CC(=O)N(C)N(C)C1=Nc2ccccc2C(c2ccccc2)=NC1C.
What is the InChIKey of N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
The InChIKey is LOGZFQKXIHRVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-20(24(4)23(3)15(2)25)22-18-13-9-8-12-17(18)19(21-14)16-10-6-5-7-11-16/h5-14H,1-4H3.
What are the key properties of N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide?
N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide has a molecular weight of 334.42 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide is sourced from PubChem (CID 58652780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).