1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C21H24N2O3 — CID 108970545

IUPAC1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)NC(=O)C1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-15(2)22-19(24)21(12-13-21)20(25)23-17-8-10-18(11-9-17)26-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVEDMGERZDRFBTR-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.51
Rot. Bonds7

About 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108970545) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108970545
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)NC(=O)C1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-15(2)22-19(24)21(12-13-21)20(25)23-17-8-10-18(11-9-17)26-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVEDMGERZDRFBTR-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 100707919
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
cyclohexa-1,4-diene;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid;1-N'-(4-fluorophenyl)-1-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide;1-N'-(4-fluorophenyl)-1-N-(4-phenylmethoxyphenyl)cyclopropane-1,1-dicarboxamide;methane;4-phenylmethoxyaniline;hydrochloride
CID 159136211
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974834
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108970545) is 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is CC(C)NC(=O)C1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is VEDMGERZDRFBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)22-19(24)21(12-13-21)20(25)23-17-8-10-18(11-9-17)26-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).