2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide

C22H26N2O4 — CID 20748521

IUPAC2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)ONC(=O)C1CC1(C(N)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-21(2,3)28-24-19(25)18-13-22(18,20(23)26)16-9-11-17(12-10-16)27-14-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyPKGRJGYUFKIDNN-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.85
Rot. Bonds7

About 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 20748521) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID20748521
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)ONC(=O)C1CC1(C(N)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-21(2,3)28-24-19(25)18-13-22(18,20(23)26)16-9-11-17(12-10-16)27-14-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyPKGRJGYUFKIDNN-UHFFFAOYSA-N
XLogP2.85
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
trans-(1S,2S)-2-methoxycarbonyl-2-(3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 10172009
cis-2-O-tert-butyl 1-O-methyl (1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(4-methylsulfanylphenyl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-(1,2,3,4-tetrahydroacridin-9-ylmethoxy)phenyl]methyl]cyclopropane-1,2-dicarboxylate;trans-(1S,2S)-2-N-hydroxy-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 159142212
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
4-phenylmethoxybenzoic acid
CID 68896574
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea
CID 70391991
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 20748521) is 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide is CC(C)(C)ONC(=O)C1CC1(C(N)=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PKGRJGYUFKIDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-21(2,3)28-24-19(25)18-13-22(18,20(23)26)16-9-11-17(12-10-16)27-14-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H2,23,26)(H,24,25).
What are the key properties of 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 20748521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).