4-[(3-aminocyclobutyl)amino]-N-methylbenzamide

C12H17N3O — CID 80559709

IUPAC4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CC(N)C2)cc1
InChIInChI=1S/C12H17N3O/c1-14-12(16)8-2-4-10(5-3-8)15-11-6-9(13)7-11/h2-5,9,11,15H,6-7,13H2,1H3,(H,14,16)
InChIKeyJHZPWETWSQRLRW-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.95
Rot. Bonds3

About 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide

4-[(3-aminocyclobutyl)amino]-N-methylbenzamide (PubChem CID 80559709) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
PubChem CID80559709
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CC(N)C2)cc1
InChIInChI=1S/C12H17N3O/c1-14-12(16)8-2-4-10(5-3-8)15-11-6-9(13)7-11/h2-5,9,11,15H,6-7,13H2,1H3,(H,14,16)
InChIKeyJHZPWETWSQRLRW-UHFFFAOYSA-N
XLogP0.95
TPSA67.15 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 ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea
CID 80560889
N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
CID 152830437
4-hydrazinyl-N-methylbenzamide
CID 20649402
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
CID 152949444
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720
4-[(3-aminocyclohexyl)amino]benzoic acid
CID 79459514
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide (CID 80559709) is 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC2CC(N)C2)cc1.
What is the InChIKey of 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide?
The InChIKey is JHZPWETWSQRLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-12(16)8-2-4-10(5-3-8)15-11-6-9(13)7-11/h2-5,9,11,15H,6-7,13H2,1H3,(H,14,16).
What are the key properties of 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide?
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide has a molecular weight of 219.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)amino]-N-methylbenzamide is sourced from PubChem (CID 80559709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).