N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide

C15H22N2O — CID 66183611

IUPACN-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
SMILESCCN(C(=O)CCCc1ccccc1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-2-17(14-11-16-12-14)15(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
InChIKeyZFUIUVRIGGYRJL-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.83
Rot. Bonds6

About N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide

N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide (PubChem CID 66183611) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
PubChem CID66183611
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
SMILESCCN(C(=O)CCCc1ccccc1)C1CNC1
InChIInChI=1S/C15H22N2O/c1-2-17(14-11-16-12-14)15(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
InChIKeyZFUIUVRIGGYRJL-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide
CID 66182334
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
CID 66181882
2-(azetidin-3-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 116676512
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide (CID 66183611) is N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide is CCN(C(=O)CCCc1ccccc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide?
The InChIKey is ZFUIUVRIGGYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17(14-11-16-12-14)15(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide?
N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide is sourced from PubChem (CID 66183611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).