(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone

C17H32N2O2 — CID 114829341

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCC(CC)CC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-13-8-7-10-19(11-9-13)15(20)17(18)12-14(21-6-2)16(17,3)4/h13-14H,5-12,18H2,1-4H3
InChIKeySFPAGEIQKDTYNF-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.56
Rot. Bonds4

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone (PubChem CID 114829341) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
PubChem CID114829341
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCC(CC)CC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-13-8-7-10-19(11-9-13)15(20)17(18)12-14(21-6-2)16(17,3)4/h13-14H,5-12,18H2,1-4H3
InChIKeySFPAGEIQKDTYNF-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
CID 114827769
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216933
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-methoxypiperidin-1-yl)methanone
CID 114828072
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methoxypiperidin-1-yl)methanone
CID 105055857
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-propylpiperazin-1-yl)methanone
CID 114827916
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 114829251
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114829508
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone
CID 114829330
1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114829280
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 114829252
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone
CID 114829856
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone (CID 114829341) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone is CCOC1CC(N)(C(=O)N2CCCC(CC)CC2)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone?
The InChIKey is SFPAGEIQKDTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-13-8-7-10-19(11-9-13)15(20)17(18)12-14(21-6-2)16(17,3)4/h13-14H,5-12,18H2,1-4H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone has a molecular weight of 296.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone is sourced from PubChem (CID 114829341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).