N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide

C14H20N2O2 — CID 66184160

IUPACN-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C)c1O)C1CNC1
InChIInChI=1S/C14H20N2O2/c1-3-7-16(11-8-15-9-11)14(18)12-6-4-5-10(2)13(12)17/h4-6,11,15,17H,3,7-9H2,1-2H3
InChIKeyBWZGWFHDPQKUNQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds4

About N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide

N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide (PubChem CID 66184160) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
PubChem CID66184160
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(C)c1O)C1CNC1
InChIInChI=1S/C14H20N2O2/c1-3-7-16(11-8-15-9-11)14(18)12-6-4-5-10(2)13(12)17/h4-6,11,15,17H,3,7-9H2,1-2H3
InChIKeyBWZGWFHDPQKUNQ-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
N-cyclopropyl-2-hydroxy-N-(2-methoxyethyl)-3-methylbenzamide
CID 60794549
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
CID 60799804
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454
N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
CID 79749886
N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide
CID 113439411

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide (CID 66184160) is N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide is CCCN(C(=O)c1cccc(C)c1O)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide?
The InChIKey is BWZGWFHDPQKUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-7-16(11-8-15-9-11)14(18)12-6-4-5-10(2)13(12)17/h4-6,11,15,17H,3,7-9H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide?
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide is sourced from PubChem (CID 66184160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).