N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide

C12H22BrNO3 — CID 103558209

IUPACN-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOCC(Br)CN(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO3/c1-14(8-10(13)9-16-2)11(15)7-12(17-3)5-4-6-12/h10H,4-9H2,1-3H3
InChIKeyVLILFEARTPQVPV-UHFFFAOYSA-N
MW308.22 g/mol
LogP1.81
Rot. Bonds7

About N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide

N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (PubChem CID 103558209) has the molecular formula C12H22BrNO3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
PubChem CID103558209
Molecular FormulaC12H22BrNO3
Molecular Weight308.22 g/mol
Exact Mass307.08
IUPAC NameN-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOCC(Br)CN(C)C(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO3/c1-14(8-10(13)9-16-2)11(15)7-12(17-3)5-4-6-12/h10H,4-9H2,1-3H3
InChIKeyVLILFEARTPQVPV-UHFFFAOYSA-N
XLogP1.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
CID 80670667
methyl 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetate
CID 103520057
N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604028
N-(2-bromo-3-methoxypropyl)-N-methyl-2-(thian-4-yl)acetamide
CID 83136985
N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
CID 80671637
N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide
CID 80670454
N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107003215
N-(2-bromo-3-methoxypropyl)-N-methyldecanamide
CID 80671744
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide
CID 107491914
N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 80671745
N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103520091
2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid
CID 103555539

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (CID 103558209) is N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is COCC(Br)CN(C)C(=O)CC1(OC)CCC1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The InChIKey is VLILFEARTPQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO3/c1-14(8-10(13)9-16-2)11(15)7-12(17-3)5-4-6-12/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide has a molecular weight of 308.22 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103558209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).