(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide

C12H20Cl2N2O2 — CID 51726123

IUPAC(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)[C@]1(C)CC1(Cl)Cl
InChIInChI=1S/C12H20Cl2N2O2/c1-10(2,3)15-8(17)6-16(5)9(18)11(4)7-12(11,13)14/h6-7H2,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyYXUSGBPJQDHWHM-NSHDSACASA-N
MW295.21 g/mol
LogP1.94
Rot. Bonds3

About (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide

(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 51726123) has the molecular formula C12H20Cl2N2O2 and a molecular weight of 295.21 g/mol. Its IUPAC name is (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID51726123
Molecular FormulaC12H20Cl2N2O2
Molecular Weight295.21 g/mol
Exact Mass294.09
IUPAC Name(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)[C@]1(C)CC1(Cl)Cl
InChIInChI=1S/C12H20Cl2N2O2/c1-10(2,3)15-8(17)6-16(5)9(18)11(4)7-12(11,13)14/h6-7H2,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyYXUSGBPJQDHWHM-NSHDSACASA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.94
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-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
CID 46563598
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 51163473
4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 115439195
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
CID 112725202
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
CID 93317901
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
2-(1-aminocyclohexyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 64685095
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide
CID 86875763
2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 78784523
(Z)-4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55167926
N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149833

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide (CID 51726123) is (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)[C@]1(C)CC1(Cl)Cl.
What is the InChIKey of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is YXUSGBPJQDHWHM-NSHDSACASA-N. The full InChI is InChI=1S/C12H20Cl2N2O2/c1-10(2,3)15-8(17)6-16(5)9(18)11(4)7-12(11,13)14/h6-7H2,1-5H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide?
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 295.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 51726123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).