cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide

C16H23NO2 — CID 7028753

IUPACcis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C16H23NO2/c1-10-8-12(10)15(18)17-13-9-11(16(2,3)4)6-7-14(13)19-5/h6-7,9-10,12H,8H2,1-5H3,(H,17,18)/t10-,12+/m1/s1
InChIKeyPVMUYNYJZNOCDN-PWSUYJOCSA-N
MW261.37 g/mol
LogP3.59
Rot. Bonds3

About cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 7028753) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID7028753
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C16H23NO2/c1-10-8-12(10)15(18)17-13-9-11(16(2,3)4)6-7-14(13)19-5/h6-7,9-10,12H,8H2,1-5H3,(H,17,18)/t10-,12+/m1/s1
InChIKeyPVMUYNYJZNOCDN-PWSUYJOCSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63716109
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
(1R,2S,3R,4R)-3-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98115642
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1,1-dioxothiolane-3-carboxamide
CID 41141595
2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 2933931
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide (CID 7028753) is cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is PVMUYNYJZNOCDN-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-8-12(10)15(18)17-13-9-11(16(2,3)4)6-7-14(13)19-5/h6-7,9-10,12H,8H2,1-5H3,(H,17,18)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 7028753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).