3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide

C17H25N3O3 — CID 119137838

IUPAC3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide
SMILESCCOC1CC(N(C)C(=O)c2cccc(NC(N)=O)c2)C1(C)C
InChIInChI=1S/C17H25N3O3/c1-5-23-14-10-13(17(14,2)3)20(4)15(21)11-7-6-8-12(9-11)19-16(18)22/h6-9,13-14H,5,10H2,1-4H3,(H3,18,19,22)
InChIKeyUWUMYQBZRSOPSJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.45
Rot. Bonds5

About 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide

3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide (PubChem CID 119137838) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide
PubChem CID119137838
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide
SMILESCCOC1CC(N(C)C(=O)c2cccc(NC(N)=O)c2)C1(C)C
InChIInChI=1S/C17H25N3O3/c1-5-23-14-10-13(17(14,2)3)20(4)15(21)11-7-6-8-12(9-11)19-16(18)22/h6-9,13-14H,5,10H2,1-4H3,(H3,18,19,22)
InChIKeyUWUMYQBZRSOPSJ-UHFFFAOYSA-N
XLogP2.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119137843
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
2-[3-[(3-butoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187218
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzamide
CID 65167560
ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate
CID 117344331
4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
CID 119344435
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
methyl 3-(carbamoylamino)benzoate
CID 2822841
1-[[4-(carbamoylamino)benzoyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700504
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide?
The IUPAC name of 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide (CID 119137838) is 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide is CCOC1CC(N(C)C(=O)c2cccc(NC(N)=O)c2)C1(C)C.
What is the InChIKey of 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide?
The InChIKey is UWUMYQBZRSOPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-5-23-14-10-13(17(14,2)3)20(4)15(21)11-7-6-8-12(9-11)19-16(18)22/h6-9,13-14H,5,10H2,1-4H3,(H3,18,19,22).
What are the key properties of 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide?
3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide is sourced from PubChem (CID 119137838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).