N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C21H31NO2 — CID 18289264

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C21H31NO2/c1-13(2)11-15-18(21(15,6)7)19(23)22-16-12-14(20(3,4)5)9-10-17(16)24-8/h9-12,15,18H,1-8H3,(H,22,23)
InChIKeySWZDKNJMXSHLBS-UHFFFAOYSA-N
MW329.48 g/mol
LogP5.17
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 18289264) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID18289264
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C21H31NO2/c1-13(2)11-15-18(21(15,6)7)19(23)22-16-12-14(20(3,4)5)9-10-17(16)24-8/h9-12,15,18H,1-8H3,(H,22,23)
InChIKeySWZDKNJMXSHLBS-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42923994
cis-(1R,3R)-N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 27146525
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24534677
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51272726
3-[[(1S,3R)-3-carboxy-2,2-dimethylcyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 95390850
N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63716109
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
cis-(1R,3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52526871
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1,1-dioxothiolane-3-carboxamide
CID 41141595

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 18289264) is N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)C1C(C=C(C)C)C1(C)C.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is SWZDKNJMXSHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-13(2)11-15-18(21(15,6)7)19(23)22-16-12-14(20(3,4)5)9-10-17(16)24-8/h9-12,15,18H,1-8H3,(H,22,23).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 329.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 18289264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).