N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide

C12H22BrNO2 — CID 103558313

IUPACN-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCCCC(Br)CNC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO2/c1-3-5-10(13)9-14-11(15)8-12(16-2)6-4-7-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyKCQQUAICDCQDKT-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.63
Rot. Bonds7

About N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide

N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103558313) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103558313
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCCCC(Br)CNC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO2/c1-3-5-10(13)9-14-11(15)8-12(16-2)6-4-7-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyKCQQUAICDCQDKT-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-bromo-3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103558349
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
N-(2-amino-4-methylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107158751
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
diethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanedioate
CID 103519956
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103520334
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
N-[2-(aminomethyl)-2-ethylbutyl]-2-(1-methoxycyclobutyl)acetamide
CID 106250600
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 107233900
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 106156097

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide (CID 103558313) is N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide is CCCC(Br)CNC(=O)CC1(OC)CCC1.
What is the InChIKey of N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is KCQQUAICDCQDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-3-5-10(13)9-14-11(15)8-12(16-2)6-4-7-12/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide?
N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 292.22 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103558313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).