N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide

C11H20BrNO2 — CID 114309324

IUPACN-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCOCCBr)CCCC1
InChIInChI=1S/C11H20BrNO2/c1-11(4-2-3-5-11)10(14)13-7-9-15-8-6-12/h2-9H2,1H3,(H,13,14)
InChIKeyKKFNBYUAMLGWSU-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide

N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 114309324) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide
PubChem CID114309324
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCOCCBr)CCCC1
InChIInChI=1S/C11H20BrNO2/c1-11(4-2-3-5-11)10(14)13-7-9-15-8-6-12/h2-9H2,1H3,(H,13,14)
InChIKeyKKFNBYUAMLGWSU-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
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

2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 106826363
N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828991
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 105060872
2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
CID 165477386
N-[3-(2-chloroethoxy)propyl]-1-methylcyclohexane-1-carboxamide
CID 106306814
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide
CID 115612271
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-(3-chloro-4-methoxybutyl)-1-methylcyclohexane-1-carboxamide
CID 106244255

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide (CID 114309324) is N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCCOCCBr)CCCC1.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is KKFNBYUAMLGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-11(4-2-3-5-11)10(14)13-7-9-15-8-6-12/h2-9H2,1H3,(H,13,14).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide?
N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 278.19 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 114309324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).