N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide

C15H29NO2 — CID 65023347

IUPACN-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
SMILESCC(C)N(CCCO)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H29NO2/c1-13(2)16(11-8-12-17)15(18)14-9-6-4-3-5-7-10-14/h13-14,17H,3-12H2,1-2H3
InChIKeyYRMIXSFHMAEQAS-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.97
Rot. Bonds5

About N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide

N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide (PubChem CID 65023347) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
PubChem CID65023347
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
SMILESCC(C)N(CCCO)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H29NO2/c1-13(2)16(11-8-12-17)15(18)14-9-6-4-3-5-7-10-14/h13-14,17H,3-12H2,1-2H3
InChIKeyYRMIXSFHMAEQAS-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide (CID 65023347) is N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide is CC(C)N(CCCO)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide?
The InChIKey is YRMIXSFHMAEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)16(11-8-12-17)15(18)14-9-6-4-3-5-7-10-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide?
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide is sourced from PubChem (CID 65023347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).