N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide

C13H24BrNO2 — CID 106307600

IUPACN-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
SMILESO=C(NCCCOCCBr)C1CCCCCC1
InChIInChI=1S/C13H24BrNO2/c14-8-11-17-10-5-9-15-13(16)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,15,16)
InChIKeyAKNTUQOKWZPFQK-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.87
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide

N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide (PubChem CID 106307600) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
PubChem CID106307600
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC NameN-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
SMILESO=C(NCCCOCCBr)C1CCCCCC1
InChIInChI=1S/C13H24BrNO2/c14-8-11-17-10-5-9-15-13(16)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,15,16)
InChIKeyAKNTUQOKWZPFQK-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.87
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

N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide (CID 106307600) is N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide is O=C(NCCCOCCBr)C1CCCCCC1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide?
The InChIKey is AKNTUQOKWZPFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c14-8-11-17-10-5-9-15-13(16)12-6-3-1-2-4-7-12/h12H,1-11H2,(H,15,16).
What are the key properties of N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide?
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide has a molecular weight of 306.24 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide is sourced from PubChem (CID 106307600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).