N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide

C15H28BrNO2 — CID 114276372

IUPACN-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide
SMILESCC(C)N(CCOCCBr)C(=O)C1CCCCCC1
InChIInChI=1S/C15H28BrNO2/c1-13(2)17(10-12-19-11-9-16)15(18)14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeyBJSADYRLWFGGLB-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide

N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide (PubChem CID 114276372) has the molecular formula C15H28BrNO2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide
PubChem CID114276372
Molecular FormulaC15H28BrNO2
Molecular Weight334.30 g/mol
Exact Mass333.13
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide
SMILESCC(C)N(CCOCCBr)C(=O)C1CCCCCC1
InChIInChI=1S/C15H28BrNO2/c1-13(2)17(10-12-19-11-9-16)15(18)14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeyBJSADYRLWFGGLB-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373
N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 114276198
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960840
N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide (CID 114276372) is N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide is CC(C)N(CCOCCBr)C(=O)C1CCCCCC1.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide?
The InChIKey is BJSADYRLWFGGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO2/c1-13(2)17(10-12-19-11-9-16)15(18)14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide?
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-N-propan-2-ylcycloheptanecarboxamide is sourced from PubChem (CID 114276372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).