N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide

C18H28N2O — CID 163105439

IUPACN-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]2C[C@H](C)C=C3N4CCC[C@@H]1[C@]32CCC4
InChIInChI=1S/C18H28N2O/c1-12-9-14-11-16(19-13(2)21)15-5-3-7-20-8-4-6-18(14,15)17(20)10-12/h10,12,14-16H,3-9,11H2,1-2H3,(H,19,21)/t12-,14+,15-,16+,18+/m0/s1
InChIKeyOUOOYDSFWFBZIG-RFUJCOMKSA-N
MW288.43 g/mol
LogP2.93
Rot. Bonds1

About N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide

N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide (PubChem CID 163105439) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide
PubChem CID163105439
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]2C[C@H](C)C=C3N4CCC[C@@H]1[C@]32CCC4
InChIInChI=1S/C18H28N2O/c1-12-9-14-11-16(19-13(2)21)15-5-3-7-20-8-4-6-18(14,15)17(20)10-12/h10,12,14-16H,3-9,11H2,1-2H3,(H,19,21)/t12-,14+,15-,16+,18+/m0/s1
InChIKeyOUOOYDSFWFBZIG-RFUJCOMKSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide?
The IUPAC name of N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide (CID 163105439) is N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide.
What is the SMILES notation for N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide?
The canonical SMILES for N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide is CC(=O)N[C@@H]1C[C@H]2C[C@H](C)C=C3N4CCC[C@@H]1[C@]32CCC4.
What is the InChIKey of N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide?
The InChIKey is OUOOYDSFWFBZIG-RFUJCOMKSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-9-14-11-16(19-13(2)21)15-5-3-7-20-8-4-6-18(14,15)17(20)10-12/h10,12,14-16H,3-9,11H2,1-2H3,(H,19,21)/t12-,14+,15-,16+,18+/m0/s1.
What are the key properties of N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide?
N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide has a molecular weight of 288.43 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S,6R,8R,9R)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide is sourced from PubChem (CID 163105439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).