3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide

C17H18N4O2 — CID 2831867

IUPAC3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
SMILESCC1(C)N(C(=O)Nc2ccccc2)N1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N4O2/c1-17(2)20(15(22)18-13-9-5-3-6-10-13)21(17)16(23)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,22)(H,19,23)
InChIKeyUCVXMMSXTKZVMB-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.72
Rot. Bonds2

About 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide

3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide (PubChem CID 2831867) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide.

Molecular Properties

Compound Name3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
PubChem CID2831867
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
SMILESCC1(C)N(C(=O)Nc2ccccc2)N1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N4O2/c1-17(2)20(15(22)18-13-9-5-3-6-10-13)21(17)16(23)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,22)(H,19,23)
InChIKeyUCVXMMSXTKZVMB-UHFFFAOYSA-N
XLogP3.72
TPSA64.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dimethyl 1,2-bis(phenylcarbamoyl)diaziridine-3,3-dicarboxylate
CID 576688
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269224
tetrakis[2,2,6,6-tetramethyl-1-(phenylcarbamoyl)piperidin-4-yl] silicate
CID 88736179
cobalt;N-phenylacetamide
CID 158689050
3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 14140660
(1R,5R)-1,6,6-trimethyl-N-phenyl-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 99129732
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 3050914
5,5-dimethyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3473493
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide?
The IUPAC name of 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide (CID 2831867) is 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide.
What is the SMILES notation for 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide?
The canonical SMILES for 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide is CC1(C)N(C(=O)Nc2ccccc2)N1C(=O)Nc1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide?
The InChIKey is UCVXMMSXTKZVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2)20(15(22)18-13-9-5-3-6-10-13)21(17)16(23)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide?
3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide is sourced from PubChem (CID 2831867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).