2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone

C16H23NO — CID 130330381

IUPAC2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
SMILESCCN(CC)CC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H23NO/c1-3-17(4-2)13-15(18)16(11-8-12-16)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChIKeyLBMOBQSCUKDRCX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.02
Rot. Bonds6

About 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone

2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone (PubChem CID 130330381) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
PubChem CID130330381
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
SMILESCCN(CC)CC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H23NO/c1-3-17(4-2)13-15(18)16(11-8-12-16)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChIKeyLBMOBQSCUKDRCX-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine
CID 130330510
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
1-(1-phenylcyclobutyl)pent-3-yn-1-one
CID 63078433
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
1-[3-(diethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117371185
3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
CID 63410458

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone (CID 130330381) is 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone is CCN(CC)CC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone?
The InChIKey is LBMOBQSCUKDRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17(4-2)13-15(18)16(11-8-12-16)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone?
2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone is sourced from PubChem (CID 130330381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).