4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide

C15H22N2O2 — CID 112553050

IUPAC4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
SMILESCCOC1CC(NCc2ccc(C(=O)NC)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-8-13(9-14)17-10-11-4-6-12(7-5-11)15(18)16-2/h4-7,13-14,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyQKVVMJVHIPCUQY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds6

About 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide

4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide (PubChem CID 112553050) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
PubChem CID112553050
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
SMILESCCOC1CC(NCc2ccc(C(=O)NC)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-8-13(9-14)17-10-11-4-6-12(7-5-11)15(18)16-2/h4-7,13-14,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyQKVVMJVHIPCUQY-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(thian-4-ylamino)methyl]benzamide
CID 43329353
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
4-[[(1,1-dioxothian-4-yl)amino]methyl]-N-methylbenzamide
CID 43511571
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
CID 104588896
N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610336
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
N-methyl-4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzamide
CID 79358376
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide (CID 112553050) is 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide is CCOC1CC(NCc2ccc(C(=O)NC)cc2)C1.
What is the InChIKey of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide?
The InChIKey is QKVVMJVHIPCUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-14-8-13(9-14)17-10-11-4-6-12(7-5-11)15(18)16-2/h4-7,13-14,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide?
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 112553050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).