N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide

C17H32BrNO — CID 115456236

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC1(CBr)CC1
InChIInChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-17(14-18)12-13-17/h2-15H2,1H3,(H,19,20)
InChIKeyRWPOKOQYCULWCM-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.20
Rot. Bonds13

About N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide

N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide (PubChem CID 115456236) has the molecular formula C17H32BrNO and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
PubChem CID115456236
Molecular FormulaC17H32BrNO
Molecular Weight346.35 g/mol
Exact Mass345.17
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC1(CBr)CC1
InChIInChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-17(14-18)12-13-17/h2-15H2,1H3,(H,19,20)
InChIKeyRWPOKOQYCULWCM-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[(1-aminocyclobutyl)methyl]decanamide
CID 113412065
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-propylheptanamide
CID 145289188

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide (CID 115456236) is N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide is CCCCCCCCCCCC(=O)NCC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide?
The InChIKey is RWPOKOQYCULWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-17(14-18)12-13-17/h2-15H2,1H3,(H,19,20).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide has a molecular weight of 346.35 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide is sourced from PubChem (CID 115456236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).