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

C20H28N2O2 — CID 108970749

IUPAC1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-12(2)15-6-5-7-16(13(3)4)17(15)22-19(24)20(10-11-20)18(23)21-14-8-9-14/h5-7,12-14H,8-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDNGVYRMOMZSJEM-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.93
Rot. Bonds6

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

1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108970749) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide
PubChem CID108970749
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-12(2)15-6-5-7-16(13(3)4)17(15)22-19(24)20(10-11-20)18(23)21-14-8-9-14/h5-7,12-14H,8-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDNGVYRMOMZSJEM-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970946
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974702
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038
1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80592389
1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982167
1-[4,4-bis(4-chlorophenyl)cyclohexyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935134
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096
1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982192
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109011766
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide (CID 108970749) is 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is DNGVYRMOMZSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-12(2)15-6-5-7-16(13(3)4)17(15)22-19(24)20(10-11-20)18(23)21-14-8-9-14/h5-7,12-14H,8-11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide?
1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).