N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide

C11H20BrNO2 — CID 107003215

IUPACN-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCOCC(Br)CN(C)C(=O)C1CC1(C)C
InChIInChI=1S/C11H20BrNO2/c1-11(2)5-9(11)10(14)13(3)6-8(12)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyKHSUNHBOCPYKMJ-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.90
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide

N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 107003215) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID107003215
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCOCC(Br)CN(C)C(=O)C1CC1(C)C
InChIInChI=1S/C11H20BrNO2/c1-11(2)5-9(11)10(14)13(3)6-8(12)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyKHSUNHBOCPYKMJ-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 80671745
N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
CID 80671637
N-(2-bromo-3-methoxypropyl)-N-methyloxolane-3-carboxamide
CID 80671642
(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 136580888
3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 106703400
N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
CID 80670667
(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131110445
N-(2-bromo-3-methoxypropyl)-N-methyl-2-(thian-4-yl)acetamide
CID 83136985
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180334
N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide
CID 80670454
N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103558209
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002899

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide (CID 107003215) is N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide is COCC(Br)CN(C)C(=O)C1CC1(C)C.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is KHSUNHBOCPYKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-11(2)5-9(11)10(14)13(3)6-8(12)7-15-4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 278.19 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107003215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).