N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide

C17H23NO3 — CID 99856040

IUPACN-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
SMILESCOc1cccc(C[C@H](NC(=O)C2(O)CCC2)C2CC2)c1
InChIInChI=1S/C17H23NO3/c1-21-14-5-2-4-12(10-14)11-15(13-6-7-13)18-16(19)17(20)8-3-9-17/h2,4-5,10,13,15,20H,3,6-9,11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeySGDJVGQIGQTGTN-HNNXBMFYSA-N
MW289.37 g/mol
LogP2.05
Rot. Bonds6

About N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide

N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide (PubChem CID 99856040) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
PubChem CID99856040
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
SMILESCOc1cccc(C[C@H](NC(=O)C2(O)CCC2)C2CC2)c1
InChIInChI=1S/C17H23NO3/c1-21-14-5-2-4-12(10-14)11-15(13-6-7-13)18-16(19)17(20)8-3-9-17/h2,4-5,10,13,15,20H,3,6-9,11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeySGDJVGQIGQTGTN-HNNXBMFYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
CID 86798387
N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide
CID 171053918
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97244499
N-(2-amino-1-cyclopropylethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119614549
3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
CID 134162150
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295382
N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
CID 95773405
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 65391804

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide (CID 99856040) is N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide is COc1cccc(C[C@H](NC(=O)C2(O)CCC2)C2CC2)c1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide?
The InChIKey is SGDJVGQIGQTGTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-14-5-2-4-12(10-14)11-15(13-6-7-13)18-16(19)17(20)8-3-9-17/h2,4-5,10,13,15,20H,3,6-9,11H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide?
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 99856040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).