N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C12H23NO2 — CID 11218142

IUPACN-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(CO)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H23NO2/c1-6-8(7-14)13-10(15)9-11(2,3)12(9,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyWEOKVCNBPXAMOG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.56
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 11218142) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID11218142
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(CO)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H23NO2/c1-6-8(7-14)13-10(15)9-11(2,3)12(9,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyWEOKVCNBPXAMOG-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 11218142) is N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CCC(CO)NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is WEOKVCNBPXAMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-8(7-14)13-10(15)9-11(2,3)12(9,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15).
What are the key properties of N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 11218142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).