1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide

C25H33NO4 — CID 86885316

IUPAC1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C25H33NO4/c1-24(2,3)18-8-10-19(11-9-18)25(14-15-25)23(27)26-16-13-17-7-12-20(28-4)22(30-6)21(17)29-5/h7-12H,13-16H2,1-6H3,(H,26,27)
InChIKeySKKNRXTWKBATOG-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.40
Rot. Bonds8

About 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 86885316) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID86885316
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC Name1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C25H33NO4/c1-24(2,3)18-8-10-19(11-9-18)25(14-15-25)23(27)26-16-13-17-7-12-20(28-4)22(30-6)21(17)29-5/h7-12H,13-16H2,1-6H3,(H,26,27)
InChIKeySKKNRXTWKBATOG-UHFFFAOYSA-N
XLogP4.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86925548
1-(4-bromophenyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 33281737
1-(4-fluorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 33106611
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113198580
1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 55606445
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
1-(3,4-dimethoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 110438052
N-tert-butyl-2-[[N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]carbamimidoyl]amino]acetamide
CID 111384699
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
CID 142979716
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111855966
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 23258105

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 86885316) is 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1ccc(CCNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SKKNRXTWKBATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c1-24(2,3)18-8-10-19(11-9-18)25(14-15-25)23(27)26-16-13-17-7-12-20(28-4)22(30-6)21(17)29-5/h7-12H,13-16H2,1-6H3,(H,26,27).
What are the key properties of 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 411.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86885316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).