2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide

C25H30N2O2 — CID 42942199

IUPAC2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H30N2O2/c1-15(27-24(29)25(2,3)4)23(28)26-14-16-13-21-17-9-5-7-11-19(17)22(16)20-12-8-6-10-18(20)21/h5-12,15-16,21-22H,13-14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQQWCEPMSDVVAES-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.95
Rot. Bonds4

About 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide (PubChem CID 42942199) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide
PubChem CID42942199
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H30N2O2/c1-15(27-24(29)25(2,3)4)23(28)26-14-16-13-21-17-9-5-7-11-19(17)22(16)20-12-8-6-10-18(20)21/h5-12,15-16,21-22H,13-14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQQWCEPMSDVVAES-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide (CID 42942199) is 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide?
The InChIKey is QQWCEPMSDVVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-15(27-24(29)25(2,3)4)23(28)26-14-16-13-21-17-9-5-7-11-19(17)22(16)20-12-8-6-10-18(20)21/h5-12,15-16,21-22H,13-14H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 42942199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).