N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide

C12H22BrNO3 — CID 106156097

IUPACN-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOCC(CCBr)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO3/c1-16-9-10(4-7-13)14-11(15)8-12(17-2)5-3-6-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyNMWZCVPZACHADB-UHFFFAOYSA-N
MW308.22 g/mol
LogP1.86
Rot. Bonds8

About N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide

N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 106156097) has the molecular formula C12H22BrNO3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID106156097
Molecular FormulaC12H22BrNO3
Molecular Weight308.22 g/mol
Exact Mass307.08
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOCC(CCBr)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO3/c1-16-9-10(4-7-13)14-11(15)8-12(17-2)5-3-6-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyNMWZCVPZACHADB-UHFFFAOYSA-N
XLogP1.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106156254
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280
N-(4-bromo-1-methoxybutan-2-yl)pentanamide
CID 106156486
4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
CID 103555576
diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
CID 103519956
(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103555686
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103520334

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide (CID 106156097) is N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide is COCC(CCBr)NC(=O)CC1(OC)CCC1.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is NMWZCVPZACHADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO3/c1-16-9-10(4-7-13)14-11(15)8-12(17-2)5-3-6-12/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 308.22 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 106156097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).