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

C15H28ClNO — CID 65021157

IUPACN-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
SMILESCC(C)N(CCCCl)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H28ClNO/c1-13(2)17(12-8-11-16)15(18)14-9-6-4-3-5-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyFNWBYDGKPGAEKZ-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.21
Rot. Bonds5

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

N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide (PubChem CID 65021157) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
PubChem CID65021157
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
SMILESCC(C)N(CCCCl)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H28ClNO/c1-13(2)17(12-8-11-16)15(18)14-9-6-4-3-5-7-10-14/h13-14H,3-12H2,1-2H3
InChIKeyFNWBYDGKPGAEKZ-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
N-(3-chloropropyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
CID 104522223
N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 107183830
N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide
CID 63396070
N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894177
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide
CID 114276372
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide (CID 65021157) is N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide is CC(C)N(CCCCl)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide?
The InChIKey is FNWBYDGKPGAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-13(2)17(12-8-11-16)15(18)14-9-6-4-3-5-7-10-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide?
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide has a molecular weight of 273.85 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide is sourced from PubChem (CID 65021157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).