1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide

C18H23NO2 — CID 175949736

IUPAC1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC3(CCC3)C2)c(OC2(C(N)=O)CC2)c1
InChIInChI=1S/C18H23NO2/c1-12-3-4-14(13-10-17(11-13)5-2-6-17)15(9-12)21-18(7-8-18)16(19)20/h3-4,9,13H,2,5-8,10-11H2,1H3,(H2,19,20)
InChIKeyHUKNFEJEYRVYLT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.44
Rot. Bonds4

About 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide

1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide (PubChem CID 175949736) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide
PubChem CID175949736
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC3(CCC3)C2)c(OC2(C(N)=O)CC2)c1
InChIInChI=1S/C18H23NO2/c1-12-3-4-14(13-10-17(11-13)5-2-6-17)15(9-12)21-18(7-8-18)16(19)20/h3-4,9,13H,2,5-8,10-11H2,1H3,(H2,19,20)
InChIKeyHUKNFEJEYRVYLT-UHFFFAOYSA-N
XLogP3.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate
CID 156782030
1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
CID 175949728
1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
CID 154940949
(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
CID 175156246
6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 170170511
tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate
CID 156781895
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781886
1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid
CID 154940878
1-(2-cyclopropyl-5-methylphenoxy)-N-[[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156782087
methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
CID 156864542
1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 156782018
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide (CID 175949736) is 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide is Cc1ccc(C2CC3(CCC3)C2)c(OC2(C(N)=O)CC2)c1.
What is the InChIKey of 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide?
The InChIKey is HUKNFEJEYRVYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-3-4-14(13-10-17(11-13)5-2-6-17)15(9-12)21-18(7-8-18)16(19)20/h3-4,9,13H,2,5-8,10-11H2,1H3,(H2,19,20).
What are the key properties of 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide?
1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide is sourced from PubChem (CID 175949736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).