(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide

C17H18N2O — CID 10015778

IUPAC(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
SMILESCN(C)C(=O)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-18(2)17(20)19-15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+,19?
InChIKeyNAJYXSJPANFOQH-MCPYQZEQSA-N
MW266.34 g/mol
LogP3.47
Rot. Bonds2

About (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide

(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide (PubChem CID 10015778) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
PubChem CID10015778
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
SMILESCN(C)C(=O)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-18(2)17(20)19-15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+,19?
InChIKeyNAJYXSJPANFOQH-MCPYQZEQSA-N
XLogP3.47
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
methyl (2S,5R)-1-(dimethylcarbamoyl)-5-phenylpyrrolidine-2-carboxylate
CID 99859379
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 10916338
(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide
CID 110138641
1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide
CID 156736500
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
CID 11894627
(2S,3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxamide
CID 15326329
N,N-dimethyl-2-phenyl-3-propan-2-ylcyclopropane-1-carboxamide
CID 164769743

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide?
The IUPAC name of (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide (CID 10015778) is (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide.
What is the SMILES notation for (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide?
The canonical SMILES for (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide is CN(C)C(=O)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide?
The InChIKey is NAJYXSJPANFOQH-MCPYQZEQSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18(2)17(20)19-15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+,19?.
What are the key properties of (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide?
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide is sourced from PubChem (CID 10015778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).