N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide

C16H22N2O2 — CID 115972221

IUPACN-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
SMILESCC1(C)C(O)CC1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2)13(9-14(16)19)17-11-5-3-10(4-6-11)15(20)18-12-7-8-12/h3-6,12-14,17,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyUFJHHVQYKURDFJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.15
Rot. Bonds4

About N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide

N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide (PubChem CID 115972221) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
PubChem CID115972221
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
SMILESCC1(C)C(O)CC1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2)13(9-14(16)19)17-11-5-3-10(4-6-11)15(20)18-12-7-8-12/h3-6,12-14,17,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyUFJHHVQYKURDFJ-UHFFFAOYSA-N
XLogP2.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
CID 112633693
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
CID 114630906
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
2,2-dimethyl-3-(4-propylsulfonylanilino)cyclobutan-1-ol
CID 114630105
4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide
CID 61309160
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
CID 112633806
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide (CID 115972221) is N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide is CC1(C)C(O)CC1Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
The InChIKey is UFJHHVQYKURDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2)13(9-14(16)19)17-11-5-3-10(4-6-11)15(20)18-12-7-8-12/h3-6,12-14,17,19H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide is sourced from PubChem (CID 115972221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).