N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide

C12H22ClNO2 — CID 103166695

IUPACN-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NC(C)(C)CCl)C1
InChIInChI=1S/C12H22ClNO2/c1-4-16-10-5-9(6-10)7-11(15)14-12(2,3)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyTZLXZZRLIIDXSP-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.33
Rot. Bonds6

About N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide

N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103166695) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103166695
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NC(C)(C)CCl)C1
InChIInChI=1S/C12H22ClNO2/c1-4-16-10-5-9(6-10)7-11(15)14-12(2,3)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyTZLXZZRLIIDXSP-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.33
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-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 106355819
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
CID 103162128
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
2-(3-ethoxycyclobutyl)-N-(3-hydroxycyclobutyl)acetamide
CID 103164715
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593
2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 103164605
2-(3-ethoxycyclobutyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 103164701
N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166851
N-(2-aminocyclopentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164928
2-(3-ethoxycyclobutyl)-N-[4-(propylamino)cyclohexyl]acetamide
CID 103162231

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide (CID 103166695) is N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NC(C)(C)CCl)C1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is TZLXZZRLIIDXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-4-16-10-5-9(6-10)7-11(15)14-12(2,3)8-13/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide?
N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 247.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103166695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).