3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide

C15H22N2O2 — CID 112561851

IUPAC3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
SMILESCCOC1CC(Nc2cccc(C(=O)NC)c2C)C1
InChIInChI=1S/C15H22N2O2/c1-4-19-12-8-11(9-12)17-14-7-5-6-13(10(14)2)15(18)16-3/h5-7,11-12,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyWXVLACAEWLFHKD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.33
Rot. Bonds5

About 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide

3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide (PubChem CID 112561851) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
PubChem CID112561851
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
SMILESCCOC1CC(Nc2cccc(C(=O)NC)c2C)C1
InChIInChI=1S/C15H22N2O2/c1-4-19-12-8-11(9-12)17-14-7-5-6-13(10(14)2)15(18)16-3/h5-7,11-12,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyWXVLACAEWLFHKD-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
CID 64596426
3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
CID 65083034
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 103161884
N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline
CID 112561854
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
CID 64918620
3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
CID 80560029
3-[(4-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 43737246
N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
CID 102670996
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79957935
3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 106544991

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide (CID 112561851) is 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide is CCOC1CC(Nc2cccc(C(=O)NC)c2C)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide?
The InChIKey is WXVLACAEWLFHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-12-8-11(9-12)17-14-7-5-6-13(10(14)2)15(18)16-3/h5-7,11-12,17H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide?
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 112561851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).