3-[(3-aminocyclobutyl)amino]-2-methylbenzamide

C12H17N3O — CID 80560029

IUPAC3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
SMILESCc1c(NC2CC(N)C2)cccc1C(N)=O
InChIInChI=1S/C12H17N3O/c1-7-10(12(14)16)3-2-4-11(7)15-9-5-8(13)6-9/h2-4,8-9,15H,5-6,13H2,1H3,(H2,14,16)
InChIKeyIGXLQSRZZZYZPQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.00
Rot. Bonds3

About 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide

3-[(3-aminocyclobutyl)amino]-2-methylbenzamide (PubChem CID 80560029) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
PubChem CID80560029
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
SMILESCc1c(NC2CC(N)C2)cccc1C(N)=O
InChIInChI=1S/C12H17N3O/c1-7-10(12(14)16)3-2-4-11(7)15-9-5-8(13)6-9/h2-4,8-9,15H,5-6,13H2,1H3,(H2,14,16)
InChIKeyIGXLQSRZZZYZPQ-UHFFFAOYSA-N
XLogP1.00
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
CID 79723896
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43694058
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
CID 79860471
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209
3-[(2-methoxycyclohexyl)amino]-2-methylbenzamide
CID 43783378
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide
CID 43694186
methyl 3-[(1-carbamoylpiperidin-4-yl)amino]-2-methylbenzoate
CID 43784592
3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide
CID 115928848
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
CID 54925416
2-(cyclopropylamino)benzamide
CID 119089293
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide (CID 80560029) is 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide is Cc1c(NC2CC(N)C2)cccc1C(N)=O.
What is the InChIKey of 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide?
The InChIKey is IGXLQSRZZZYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7-10(12(14)16)3-2-4-11(7)15-9-5-8(13)6-9/h2-4,8-9,15H,5-6,13H2,1H3,(H2,14,16).
What are the key properties of 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide?
3-[(3-aminocyclobutyl)amino]-2-methylbenzamide has a molecular weight of 219.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclobutyl)amino]-2-methylbenzamide is sourced from PubChem (CID 80560029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).