N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide

C17H28N4O — CID 124752568

IUPACN-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
SMILESC[C@@H](c1ccncn1)N(C)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C17H28N4O/c1-14(16-10-11-18-13-19-16)21(2)12-17(22)20-15-8-6-4-3-5-7-9-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyJXEMFDSTBDIZQW-AWEZNQCLSA-N
MW304.44 g/mol
LogP2.70
Rot. Bonds5

About N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide

N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide (PubChem CID 124752568) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
PubChem CID124752568
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
SMILESC[C@@H](c1ccncn1)N(C)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C17H28N4O/c1-14(16-10-11-18-13-19-16)21(2)12-17(22)20-15-8-6-4-3-5-7-9-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyJXEMFDSTBDIZQW-AWEZNQCLSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
The IUPAC name of N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide (CID 124752568) is N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide is C[C@@H](c1ccncn1)N(C)CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
The InChIKey is JXEMFDSTBDIZQW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(16-10-11-18-13-19-16)21(2)12-17(22)20-15-8-6-4-3-5-7-9-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide has a molecular weight of 304.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 124752568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).