cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide

C15H19NO2 — CID 41098263

IUPACcis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO2/c17-15(16-10-12-7-4-8-18-12)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2,(H,16,17)/t12-,13-,14-/m1/s1
InChIKeyZVXNHYZKXBMGBJ-MGPQQGTHSA-N
MW245.32 g/mol
LogP2.09
Rot. Bonds4

About cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 41098263) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID41098263
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO2/c17-15(16-10-12-7-4-8-18-12)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2,(H,16,17)/t12-,13-,14-/m1/s1
InChIKeyZVXNHYZKXBMGBJ-MGPQQGTHSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133540
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide
CID 950605
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 42762557
3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 124856755
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide (CID 41098263) is cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZVXNHYZKXBMGBJ-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(16-10-12-7-4-8-18-12)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2,(H,16,17)/t12-,13-,14-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 41098263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).