1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

C22H28N2O3 — CID 108974702

IUPAC1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H28N2O3/c1-14(2)17-8-5-9-18(15(3)4)19(17)24-21(26)22(10-11-22)20(25)23-13-16-7-6-12-27-16/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNLJOQULNKMBLOV-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.56
Rot. Bonds7

About 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974702) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974702
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H28N2O3/c1-14(2)17-8-5-9-18(15(3)4)19(17)24-21(26)22(10-11-22)20(25)23-13-16-7-6-12-27-16/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNLJOQULNKMBLOV-UHFFFAOYSA-N
XLogP4.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.56
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-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715
1-N-(furan-2-ylmethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974641
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970946
1-N'-(3-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974651
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
1-N'-(3-bromophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974696
1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974716
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096
1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108970749
1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974660
2-[bis(furan-2-ylmethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46614486
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108974702) is 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NLJOQULNKMBLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(2)17-8-5-9-18(15(3)4)19(17)24-21(26)22(10-11-22)20(25)23-13-16-7-6-12-27-16/h5-9,12,14-15H,10-11,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).