(1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide

C11H21NO — CID 97038421

IUPAC(1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCC[C@H]1[C@H](C)[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-8-7(2)9(8)10(13)12-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,13)/t7-,8-,9-/m0/s1
InChIKeyJEACVTHLHUIHCL-CIUDSAMLSA-N
MW183.29 g/mol
LogP2.19
Rot. Bonds2

About (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide

(1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide (PubChem CID 97038421) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide
PubChem CID97038421
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCC[C@H]1[C@H](C)[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-8-7(2)9(8)10(13)12-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,13)/t7-,8-,9-/m0/s1
InChIKeyJEACVTHLHUIHCL-CIUDSAMLSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide (CID 97038421) is (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide is CC[C@H]1[C@H](C)[C@@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide?
The InChIKey is JEACVTHLHUIHCL-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-8-7(2)9(8)10(13)12-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,13)/t7-,8-,9-/m0/s1.
What are the key properties of (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide?
(1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 97038421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).