1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C19H21NO3 — CID 140736987

IUPAC1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2(C(N)=O)[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-23-15-9-7-14(8-10-15)16-11-19(16,18(20)22)17(12-21)13-5-3-2-4-6-13/h2-10,16-17,21H,11-12H2,1H3,(H2,20,22)/t16?,17-,19?/m1/s1
InChIKeyXAAWPGRAISZPPL-TVRKMHQQSA-N
MW311.38 g/mol
LogP2.43
Rot. Bonds6

About 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 140736987) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID140736987
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2(C(N)=O)[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-23-15-9-7-14(8-10-15)16-11-19(16,18(20)22)17(12-21)13-5-3-2-4-6-13/h2-10,16-17,21H,11-12H2,1H3,(H2,20,22)/t16?,17-,19?/m1/s1
InChIKeyXAAWPGRAISZPPL-TVRKMHQQSA-N
XLogP2.43
TPSA72.55 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
cis-(4-methoxyphenyl) (1S,2S)-1-amino-2-phenylcyclopropane-1-carboxylate
CID 135000493
(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide
CID 11087311
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide
CID 94342118
anisole;propanamide
CID 159387798
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 140736987) is 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2CC2(C(N)=O)[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is XAAWPGRAISZPPL-TVRKMHQQSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-15-9-7-14(8-10-15)16-11-19(16,18(20)22)17(12-21)13-5-3-2-4-6-13/h2-10,16-17,21H,11-12H2,1H3,(H2,20,22)/t16?,17-,19?/m1/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 140736987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).