N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide

C13H24ClNO2 — CID 103166851

IUPACN-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NC(C)CC(C)Cl)C1
InChIInChI=1S/C13H24ClNO2/c1-4-17-12-6-11(7-12)8-13(16)15-10(3)5-9(2)14/h9-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyDLAIIWOGBDRVSL-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.71
Rot. Bonds7

About N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide

N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103166851) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103166851
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC NameN-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NC(C)CC(C)Cl)C1
InChIInChI=1S/C13H24ClNO2/c1-4-17-12-6-11(7-12)8-13(16)15-10(3)5-9(2)14/h9-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyDLAIIWOGBDRVSL-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.71
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

N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593
2-(3-ethoxycyclobutyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 103164701
N-(1-aminopropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164943
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 106355819
2-(3-ethoxycyclobutyl)-N-[2-(methylamino)propyl]acetamide
CID 103512576
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
CID 103162128
N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107157895
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166695
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid
CID 107831676

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide (CID 103166851) is N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NC(C)CC(C)Cl)C1.
What is the InChIKey of N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is DLAIIWOGBDRVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-4-17-12-6-11(7-12)8-13(16)15-10(3)5-9(2)14/h9-12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 261.79 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103166851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).