N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide

C27H29NO — CID 10572045

IUPACN,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C27H29NO/c1-20(18-23-6-4-3-5-7-23)27(29)28(2)26-19-24-13-12-21-8-10-22(11-9-21)14-16-25(26)17-15-24/h3-11,15,17,19-20H,12-14,16,18H2,1-2H3
InChIKeyPCZFGDWPDRLXEX-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.41
Rot. Bonds4

About N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide

N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide (PubChem CID 10572045) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
PubChem CID10572045
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC NameN,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C27H29NO/c1-20(18-23-6-4-3-5-7-23)27(29)28(2)26-19-24-13-12-21-8-10-22(11-9-21)14-16-25(26)17-15-24/h3-11,15,17,19-20H,12-14,16,18H2,1-2H3
InChIKeyPCZFGDWPDRLXEX-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
The IUPAC name of N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide (CID 10572045) is N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide.
What is the SMILES notation for N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
The canonical SMILES for N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide is CC(Cc1ccccc1)C(=O)N(C)c1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
The InChIKey is PCZFGDWPDRLXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-20(18-23-6-4-3-5-7-23)27(29)28(2)26-19-24-13-12-21-8-10-22(11-9-21)14-16-25(26)17-15-24/h3-11,15,17,19-20H,12-14,16,18H2,1-2H3.
What are the key properties of N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide has a molecular weight of 383.54 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide is sourced from PubChem (CID 10572045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).