trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C18H25NO2 — CID 129377935

IUPACtrans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCOC2)cc1
InChIInChI=1S/C18H25NO2/c1-12(2)14-3-5-15(6-4-14)16-9-17(16)18(20)19-10-13-7-8-21-11-13/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,19,20)/t13-,16+,17-/m1/s1
InChIKeyHESFWOZNPBKQRN-XOKHGSTOSA-N
MW287.40 g/mol
LogP3.07
Rot. Bonds5

About trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 129377935) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID129377935
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nametrans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCOC2)cc1
InChIInChI=1S/C18H25NO2/c1-12(2)14-3-5-15(6-4-14)16-9-17(16)18(20)19-10-13-7-8-21-11-13/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,19,20)/t13-,16+,17-/m1/s1
InChIKeyHESFWOZNPBKQRN-XOKHGSTOSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

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N-(3-butoxypropyl)-3-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 129377935) is trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCOC2)cc1.
What is the InChIKey of trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is HESFWOZNPBKQRN-XOKHGSTOSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12(2)14-3-5-15(6-4-14)16-9-17(16)18(20)19-10-13-7-8-21-11-13/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,19,20)/t13-,16+,17-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 129377935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).