N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C24H30N2O3 — CID 46481265

IUPACN-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-12-8-17(9-13-19)15-26(4)22(27)16-29-21-7-5-6-20(14-21)25-23(28)18-10-11-18/h5-9,12-14,18H,10-11,15-16H2,1-4H3,(H,25,28)
InChIKeyWFPHGGUXTYOILB-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.37
Rot. Bonds7

About N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 46481265) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID46481265
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-12-8-17(9-13-19)15-26(4)22(27)16-29-21-7-5-6-20(14-21)25-23(28)18-10-11-18/h5-9,12-14,18H,10-11,15-16H2,1-4H3,(H,25,28)
InChIKeyWFPHGGUXTYOILB-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 51132954
N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55632381
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 7970505
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 112791758
N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474685

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 46481265) is N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is WFPHGGUXTYOILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)19-12-8-17(9-13-19)15-26(4)22(27)16-29-21-7-5-6-20(14-21)25-23(28)18-10-11-18/h5-9,12-14,18H,10-11,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46481265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).