4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide

C15H22N2O — CID 103741169

IUPAC4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
SMILESCCC1(CNCc2ccc(C(N)=O)cc2)CCC1
InChIInChI=1S/C15H22N2O/c1-2-15(8-3-9-15)11-17-10-12-4-6-13(7-5-12)14(16)18/h4-7,17H,2-3,8-11H2,1H3,(H2,16,18)
InChIKeyAGRDZMUDUUQTDC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.46
Rot. Bonds6

About 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide

4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide (PubChem CID 103741169) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
PubChem CID103741169
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
SMILESCCC1(CNCc2ccc(C(N)=O)cc2)CCC1
InChIInChI=1S/C15H22N2O/c1-2-15(8-3-9-15)11-17-10-12-4-6-13(7-5-12)14(16)18/h4-7,17H,2-3,8-11H2,1H3,(H2,16,18)
InChIKeyAGRDZMUDUUQTDC-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
4-[[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 109469392
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
CID 114107376
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
4-[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]methyl]benzoic acid
CID 122032841
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
CID 114750159
4-[(3-ethylpentan-3-ylamino)methyl]benzamide
CID 65039687
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79353421

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide (CID 103741169) is 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide is CCC1(CNCc2ccc(C(N)=O)cc2)CCC1.
What is the InChIKey of 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide?
The InChIKey is AGRDZMUDUUQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-15(8-3-9-15)11-17-10-12-4-6-13(7-5-12)14(16)18/h4-7,17H,2-3,8-11H2,1H3,(H2,16,18).
What are the key properties of 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide?
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide is sourced from PubChem (CID 103741169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).