2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide

C16H22N2O — CID 116675630

IUPAC2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESCC(C(=O)NC(c1ccccc1)C1CC1)C1CNC1
InChIInChI=1S/C16H22N2O/c1-11(14-9-17-10-14)16(19)18-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3,(H,18,19)
InChIKeyLHQXZIRGLBZPDB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.11
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide

2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide (PubChem CID 116675630) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
PubChem CID116675630
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESCC(C(=O)NC(c1ccccc1)C1CC1)C1CNC1
InChIInChI=1S/C16H22N2O/c1-11(14-9-17-10-14)16(19)18-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3,(H,18,19)
InChIKeyLHQXZIRGLBZPDB-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
2-(azetidin-3-yl)-N-(1-phenylpropan-2-yl)propanamide
CID 116677788
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
2-[2-(azetidin-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 116676904
2-cyclopropyl-N-[2-(diethylamino)-2-oxo-1-phenylethyl]propanamide
CID 110626255
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide (CID 116675630) is 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide is CC(C(=O)NC(c1ccccc1)C1CC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide?
The InChIKey is LHQXZIRGLBZPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(14-9-17-10-14)16(19)18-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide?
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide has a molecular weight of 258.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide is sourced from PubChem (CID 116675630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).