4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide

C17H26N2O2 — CID 65167864

IUPAC4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide
SMILESCCOC1CC(Nc2ccc(C(N)=O)cc2C)C1(C)CC
InChIInChI=1S/C17H26N2O2/c1-5-17(4)14(10-15(17)21-6-2)19-13-8-7-12(16(18)20)9-11(13)3/h7-9,14-15,19H,5-6,10H2,1-4H3,(H2,18,20)
InChIKeyNMFKJHWIUKTWEX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.10
Rot. Bonds6

About 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide

4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide (PubChem CID 65167864) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide
PubChem CID65167864
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide
SMILESCCOC1CC(Nc2ccc(C(N)=O)cc2C)C1(C)CC
InChIInChI=1S/C17H26N2O2/c1-5-17(4)14(10-15(17)21-6-2)19-13-8-7-12(16(18)20)9-11(13)3/h7-9,14-15,19H,5-6,10H2,1-4H3,(H2,18,20)
InChIKeyNMFKJHWIUKTWEX-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzamide
CID 65167560
4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
CID 65167941
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-fluoro-2-methylaniline
CID 65168180
5-bromo-2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzonitrile
CID 82708652
4-bromo-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-nitroaniline
CID 65168016
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
CID 64850520
3-methyl-4-[(3-methylcyclobutyl)amino]benzamide
CID 103561285
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 64851910
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
CID 65467782
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
CID 107679223
1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376095

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide?
The IUPAC name of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide (CID 65167864) is 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide.
What is the SMILES notation for 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide?
The canonical SMILES for 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide is CCOC1CC(Nc2ccc(C(N)=O)cc2C)C1(C)CC.
What is the InChIKey of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide?
The InChIKey is NMFKJHWIUKTWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-17(4)14(10-15(17)21-6-2)19-13-8-7-12(16(18)20)9-11(13)3/h7-9,14-15,19H,5-6,10H2,1-4H3,(H2,18,20).
What are the key properties of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide?
4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide is sourced from PubChem (CID 65167864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).