N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide

C14H21N3O — CID 80560795

IUPACN-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC(N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-10-2-4-11(5-3-10)14(18)17-7-6-16-13-8-12(15)9-13/h2-5,12-13,16H,6-9,15H2,1H3,(H,17,18)
InChIKeyWUMFVGFXNAMBDO-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.80
Rot. Bonds5

About N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide

N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide (PubChem CID 80560795) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
PubChem CID80560795
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC(N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-10-2-4-11(5-3-10)14(18)17-7-6-16-13-8-12(15)9-13/h2-5,12-13,16H,6-9,15H2,1H3,(H,17,18)
InChIKeyWUMFVGFXNAMBDO-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
CID 64751228
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119742072
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide (CID 80560795) is N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC2CC(N)C2)cc1.
What is the InChIKey of N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is WUMFVGFXNAMBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-2-4-11(5-3-10)14(18)17-7-6-16-13-8-12(15)9-13/h2-5,12-13,16H,6-9,15H2,1H3,(H,17,18).
What are the key properties of N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 80560795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).