trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

C19H21NO3 — CID 138039139

IUPACtrans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-18-10-6-5-9-14(18)15-11-16(15)19(22)20-12-17(21)13-7-3-2-4-8-13/h2-10,15-17,21H,11-12H2,1H3,(H,20,22)/t15-,16+,17?/m0/s1
InChIKeySUOCHBDXGDMDIT-RTKIROINSA-N
MW311.38 g/mol
LogP2.65
Rot. Bonds6

About trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 138039139) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID138039139
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nametrans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-18-10-6-5-9-14(18)15-11-16(15)19(22)20-12-17(21)13-7-3-2-4-8-13/h2-10,15-17,21H,11-12H2,1H3,(H,20,22)/t15-,16+,17?/m0/s1
InChIKeySUOCHBDXGDMDIT-RTKIROINSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2891278
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(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide
CID 51355324
(2S)-N-((1R)-2-hydroxy-1-(4-(2-methylpentyloxy)phenyl)ethyl)-2-phenylpropanamide
CID 51356430
(2S)-N-[(1R)-2-hydroxy-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
CID 67438968
(2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide
CID 134536725
3-(2-hydroxyphenyl)-N-phenethyl-3-phenylpropanamide
CID 2939182
(S)-2-(Cyclopentanecarbonyl-amino)-3-(2''-methoxy-biphenyl-4-yl)-propionic acid
CID 44284016
(2S)-3-[4-(2-methoxyphenyl)phenyl]-2-(oxolane-2-carbonylamino)propanoic acid
CID 44284102
(4R,5R)-5-[(S)-Hydroxy-(3-methoxy-phenyl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397793
8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 53317560

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 138039139) is trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is SUOCHBDXGDMDIT-RTKIROINSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-18-10-6-5-9-14(18)15-11-16(15)19(22)20-12-17(21)13-7-3-2-4-8-13/h2-10,15-17,21H,11-12H2,1H3,(H,20,22)/t15-,16+,17?/m0/s1.
What are the key properties of trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138039139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).