N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide

C19H28F2N2O — CID 144605400

IUPACN-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)CNC1CC1C1=CC(C(=O)NC2CC(F)(F)C2)CC=C1
InChIInChI=1S/C19H28F2N2O/c1-18(2,3)11-22-16-8-15(16)12-5-4-6-13(7-12)17(24)23-14-9-19(20,21)10-14/h4-5,7,13-16,22H,6,8-11H2,1-3H3,(H,23,24)
InChIKeyXSUKYQVMTSMVQN-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.43
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide

N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 144605400) has the molecular formula C19H28F2N2O and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID144605400
Molecular FormulaC19H28F2N2O
Molecular Weight338.44 g/mol
Exact Mass338.22
IUPAC NameN-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)CNC1CC1C1=CC(C(=O)NC2CC(F)(F)C2)CC=C1
InChIInChI=1S/C19H28F2N2O/c1-18(2,3)11-22-16-8-15(16)12-5-4-6-13(7-12)17(24)23-14-9-19(20,21)10-14/h4-5,7,13-16,22H,6,8-11H2,1-3H3,(H,23,24)
InChIKeyXSUKYQVMTSMVQN-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide with MolForge

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Related Compounds

5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
2-butan-2-yl-5-(2-cyclopropylethynyl)-N-(3,3-difluorocyclobutyl)hepta-2,4,6-trienamide
CID 123151688
(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide
CID 155356631
(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide
CID 156730180
N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171777754
N-[(R)-cyclohexa-1,3-dien-1-yl(cyclopropyl)methyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171777758
N-[(R)-cyclohexa-1,5-dien-1-yl(cyclopropyl)methyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171777847
3-methyl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butanamide
CID 143041826
N-[2-[2-(propylamino)ethyl]cyclopropyl]-1,2,5,6-tetrahydronaphthalene-1-carboxamide
CID 144360773

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide (CID 144605400) is N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide is CC(C)(C)CNC1CC1C1=CC(C(=O)NC2CC(F)(F)C2)CC=C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is XSUKYQVMTSMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O/c1-18(2,3)11-22-16-8-15(16)12-5-4-6-13(7-12)17(24)23-14-9-19(20,21)10-14/h4-5,7,13-16,22H,6,8-11H2,1-3H3,(H,23,24).
What are the key properties of N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide?
N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 144605400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).