(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide

C21H21NO2 — CID 166429192

IUPAC(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide
SMILESC[C@@H]1O[C@H]1C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C21H21NO2/c1-12-20(24-12)21(23)22-11-13-10-18-14-6-2-4-8-16(14)19(13)17-9-5-3-7-15(17)18/h2-9,12-13,18-20H,10-11H2,1H3,(H,22,23)/t12-,13?,18?,19?,20+/m0/s1
InChIKeyMPDDMONNJWJJHC-ZXKGWONLSA-N
MW319.40 g/mol
LogP3.19
Rot. Bonds3

About (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide

(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide (PubChem CID 166429192) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide
PubChem CID166429192
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide
SMILESC[C@@H]1O[C@H]1C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C21H21NO2/c1-12-20(24-12)21(23)22-11-13-10-18-14-6-2-4-8-16(14)19(13)17-9-5-3-7-15(17)18/h2-9,12-13,18-20H,10-11H2,1H3,(H,22,23)/t12-,13?,18?,19?,20+/m0/s1
InChIKeyMPDDMONNJWJJHC-ZXKGWONLSA-N
XLogP3.19
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide (CID 166429192) is (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide is C[C@@H]1O[C@H]1C(=O)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide?
The InChIKey is MPDDMONNJWJJHC-ZXKGWONLSA-N. The full InChI is InChI=1S/C21H21NO2/c1-12-20(24-12)21(23)22-11-13-10-18-14-6-2-4-8-16(14)19(13)17-9-5-3-7-15(17)18/h2-9,12-13,18-20H,10-11H2,1H3,(H,22,23)/t12-,13?,18?,19?,20+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide?
(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide is sourced from PubChem (CID 166429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).