4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide

C25H29N3O3 — CID 20632813

IUPAC4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
SMILESCC1(C)CC1C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3(C)C)cc2)cc1
InChIInChI=1S/C25H29N3O3/c1-24(2)13-19(24)22(30)27-16-7-5-15(6-8-16)21(29)26-17-9-11-18(12-10-17)28-23(31)20-14-25(20,3)4/h5-12,19-20H,13-14H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyDFYVJKMEBUZSEF-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.91
Rot. Bonds6

About 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide

4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide (PubChem CID 20632813) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
PubChem CID20632813
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
SMILESCC1(C)CC1C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3(C)C)cc2)cc1
InChIInChI=1S/C25H29N3O3/c1-24(2)13-19(24)22(30)27-16-7-5-15(6-8-16)21(29)26-17-9-11-18(12-10-17)28-23(31)20-14-25(20,3)4/h5-12,19-20H,13-14H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyDFYVJKMEBUZSEF-UHFFFAOYSA-N
XLogP4.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide with MolForge

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Related Compounds

(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 12989212
N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 166390708
(1S)-2,2-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 122159832
(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 8712837
3-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541168
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide?
The IUPAC name of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide (CID 20632813) is 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide?
The canonical SMILES for 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide is CC1(C)CC1C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3(C)C)cc2)cc1.
What is the InChIKey of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide?
The InChIKey is DFYVJKMEBUZSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-24(2)13-19(24)22(30)27-16-7-5-15(6-8-16)21(29)26-17-9-11-18(12-10-17)28-23(31)20-14-25(20,3)4/h5-12,19-20H,13-14H2,1-4H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide?
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide is sourced from PubChem (CID 20632813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).