N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide

C14H19NO2 — CID 79039782

IUPACN-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,17)9-15-13(16)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12,17H,8-9H2,1-2H3,(H,15,16)
InChIKeyDXRDEILLFFTWHX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.68
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide

N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 79039782) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID79039782
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,17)9-15-13(16)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12,17H,8-9H2,1-2H3,(H,15,16)
InChIKeyDXRDEILLFFTWHX-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 103681545
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249836
2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
CID 97234095
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 113275566
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 99776033
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
CID 116588801

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide (CID 79039782) is N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide is CC(C)(O)CNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is DXRDEILLFFTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,17)9-15-13(16)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12,17H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 79039782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).