2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide

C17H26N2O — CID 140609140

IUPAC2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide
SMILESCCN(CC)C(C)(c1ccccc1)C1CCC1C(N)=O
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)17(3,13-9-7-6-8-10-13)15-12-11-14(15)16(18)20/h6-10,14-15H,4-5,11-12H2,1-3H3,(H2,18,20)
InChIKeyYRSGDDAPMBSGDR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide

2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide (PubChem CID 140609140) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide
PubChem CID140609140
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide
SMILESCCN(CC)C(C)(c1ccccc1)C1CCC1C(N)=O
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)17(3,13-9-7-6-8-10-13)15-12-11-14(15)16(18)20/h6-10,14-15H,4-5,11-12H2,1-3H3,(H2,18,20)
InChIKeyYRSGDDAPMBSGDR-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexyl-1-phenylethyl)piperidine;1-cyclopentyl-N,N-diethyl-1-phenylethanamine;ethane
CID 171097748
2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide
CID 140575168
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
3-(4-tert-butylphenyl)-3-(diethylamino)butanoic acid
CID 64526621
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
2-phenylcyclobutane-1-carboxamide
CID 132565333
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 120595489
4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol
CID 2835423
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
carbamothioic S-acid;diethylcarbamothioic S-acid;2-phenylpropan-2-amine
CID 88595563

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide?
The IUPAC name of 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide (CID 140609140) is 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide is CCN(CC)C(C)(c1ccccc1)C1CCC1C(N)=O.
What is the InChIKey of 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide?
The InChIKey is YRSGDDAPMBSGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19(5-2)17(3,13-9-7-6-8-10-13)15-12-11-14(15)16(18)20/h6-10,14-15H,4-5,11-12H2,1-3H3,(H2,18,20).
What are the key properties of 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide?
2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)-1-phenylethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 140609140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).