N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide

C14H26BrNO2 — CID 107157895

IUPACN-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC(Br)CC(C)C)C1
InChIInChI=1S/C14H26BrNO2/c1-4-18-13-6-11(7-13)8-14(17)16-9-12(15)5-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,17)
InChIKeyAQLPBUNJQRTRCN-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.12
Rot. Bonds8

About N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide

N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 107157895) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID107157895
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC NameN-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC(Br)CC(C)C)C1
InChIInChI=1S/C14H26BrNO2/c1-4-18-13-6-11(7-13)8-14(17)16-9-12(15)5-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,17)
InChIKeyAQLPBUNJQRTRCN-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxycyclobutyl)-N-[2-(methylamino)propyl]acetamide
CID 103512576
N-(2-bromo-4-methylpentyl)-2-(thian-4-yl)acetamide
CID 107157564
2-(3-ethoxycyclobutyl)-N-(2-hydroxypentyl)acetamide
CID 103164764
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114145799
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593
2-(3-ethoxycyclobutyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 103164701
N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166851
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
N-(1-aminopropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164943
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide (CID 107157895) is N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCC(Br)CC(C)C)C1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is AQLPBUNJQRTRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c1-4-18-13-6-11(7-13)8-14(17)16-9-12(15)5-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 320.27 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 107157895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).