N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide

C10H16Cl2N2O2 — CID 86915229

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H16Cl2N2O2/c1-9(2,3)14-7(15)5-13-8(16)6-4-10(6,11)12/h6H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyWBULIPBRCDOUJJ-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.21
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 86915229) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID86915229
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H16Cl2N2O2/c1-9(2,3)14-7(15)5-13-8(16)6-4-10(6,11)12/h6H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyWBULIPBRCDOUJJ-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(1S)-2,2-dichlorocyclopropanecarbonyl]amino]acetate
CID 99812001
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692657
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981721
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123823
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24550355
N-[2-(tert-butylamino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
CID 119692656

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide (CID 86915229) is N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide is CC(C)(C)NC(=O)CNC(=O)C1CC1(Cl)Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is WBULIPBRCDOUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O2/c1-9(2,3)14-7(15)5-13-8(16)6-4-10(6,11)12/h6H,4-5H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 267.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 86915229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).