N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide

C26H26N2O4 — CID 46487328

IUPACN-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26N2O4/c1-18-7-10-21(27-26(30)20-8-9-20)15-24(18)28-25(29)17-32-23-13-11-22(12-14-23)31-16-19-5-3-2-4-6-19/h2-7,10-15,20H,8-9,16-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyYILYSGRUKNXXRU-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.94
Rot. Bonds9

About N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 46487328) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID46487328
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26N2O4/c1-18-7-10-21(27-26(30)20-8-9-20)15-24(18)28-25(29)17-32-23-13-11-22(12-14-23)31-16-19-5-3-2-4-6-19/h2-7,10-15,20H,8-9,16-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyYILYSGRUKNXXRU-UHFFFAOYSA-N
XLogP4.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46480929
2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55848331
(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 987488
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761066

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 46487328) is N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is YILYSGRUKNXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18-7-10-21(27-26(30)20-8-9-20)15-24(18)28-25(29)17-32-23-13-11-22(12-14-23)31-16-19-5-3-2-4-6-19/h2-7,10-15,20H,8-9,16-17H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 430.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46487328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).