N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide

C20H20N2O — CID 10662302

IUPACN-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide
SMILESCC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1
InChIInChI=1S/C20H20N2O/c1-11(23)21-20-14-5-3-4-13-10-16-18-12(8-9-22(16)2)6-7-15(20)19(18)17(13)14/h3-7,16,20H,8-10H2,1-2H3,(H,21,23)/t16-,20-/m1/s1
InChIKeyKCDYLYMPNGUYNO-OXQOHEQNSA-N
MW304.39 g/mol
LogP2.98
Rot. Bonds1

About N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide

N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide (PubChem CID 10662302) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide.

Molecular Properties

Compound NameN-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide
PubChem CID10662302
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide
SMILESCC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1
InChIInChI=1S/C20H20N2O/c1-11(23)21-20-14-5-3-4-13-10-16-18-12(8-9-22(16)2)6-7-15(20)19(18)17(13)14/h3-7,16,20H,8-10H2,1-2H3,(H,21,23)/t16-,20-/m1/s1
InChIKeyKCDYLYMPNGUYNO-OXQOHEQNSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide?
The IUPAC name of N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide (CID 10662302) is N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide.
What is the SMILES notation for N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide?
The canonical SMILES for N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide is CC(=O)N[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1.
What is the InChIKey of N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide?
The InChIKey is KCDYLYMPNGUYNO-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H20N2O/c1-11(23)21-20-14-5-3-4-13-10-16-18-12(8-9-22(16)2)6-7-15(20)19(18)17(13)14/h3-7,16,20H,8-10H2,1-2H3,(H,21,23)/t16-,20-/m1/s1.
What are the key properties of N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide?
N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-yl]acetamide is sourced from PubChem (CID 10662302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).