2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate

C17H25NO2 — CID 23295003

IUPAC2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H25NO2/c1-3-18(4-2)13-14-20-16(19)17(11-8-12-17)15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3
InChIKeyAKLRHYWEOGERMM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.99
Rot. Bonds7

About 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate

2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate (PubChem CID 23295003) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
PubChem CID23295003
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H25NO2/c1-3-18(4-2)13-14-20-16(19)17(11-8-12-17)15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3
InChIKeyAKLRHYWEOGERMM-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;methyl acetate;hydrochloride
CID 67678429
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
CID 25066162
2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
CID 659362
2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
CID 130330381
trimethyl-[2-(1-phenylcyclopentanecarbonyl)oxyethyl]azanium chloride
CID 163331456
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
2-(1,3-dioxoisoindol-2-yl)ethyl 1-phenylcyclobutane-1-carboxylate
CID 27097065
2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate
CID 30448665
bis(ethyl-[2-(1-phenylcyclohexanecarbonyl)oxyethyl]azanium);sulfate
CID 162394226
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate (CID 23295003) is 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate is CCN(CC)CCOC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate?
The InChIKey is AKLRHYWEOGERMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18(4-2)13-14-20-16(19)17(11-8-12-17)15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate?
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 23295003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).