1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide

C26H34N2O2 — CID 39094433

IUPAC1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C26H34N2O2/c1-17-14-18(2)23(19(3)15-17)27-22(29)16-28(7)24(30)26(12-13-26)21-10-8-20(9-11-21)25(4,5)6/h8-11,14-15H,12-13,16H2,1-7H3,(H,27,29)
InChIKeyWQKVUHIUCNXQLY-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.04
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide (PubChem CID 39094433) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
PubChem CID39094433
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C26H34N2O2/c1-17-14-18(2)23(19(3)15-17)27-22(29)16-28(7)24(30)26(12-13-26)21-10-8-20(9-11-21)25(4,5)6/h8-11,14-15H,12-13,16H2,1-7H3,(H,27,29)
InChIKeyWQKVUHIUCNXQLY-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate
CID 56520620
1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
1-(4-bromophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 38007931
4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 120622838
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide
CID 43024604
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
CID 55666606
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide (CID 39094433) is 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c(C)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is WQKVUHIUCNXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-17-14-18(2)23(19(3)15-17)27-22(29)16-28(7)24(30)26(12-13-26)21-10-8-20(9-11-21)25(4,5)6/h8-11,14-15H,12-13,16H2,1-7H3,(H,27,29).
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 39094433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).