N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide

C15H22N2O2 — CID 66185454

IUPACN-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
SMILESCCCCOc1ccc(C(=O)N(C)C2CNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-4-9-19-14-7-5-12(6-8-14)15(18)17(2)13-10-16-11-13/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyIRXTVHVQQXTNJP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds6

About N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide

N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide (PubChem CID 66185454) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
PubChem CID66185454
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
SMILESCCCCOc1ccc(C(=O)N(C)C2CNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-4-9-19-14-7-5-12(6-8-14)15(18)17(2)13-10-16-11-13/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyIRXTVHVQQXTNJP-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
CID 102302475
CID 102302475
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910772
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide
CID 102557641
N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide (CID 66185454) is N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide is CCCCOc1ccc(C(=O)N(C)C2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide?
The InChIKey is IRXTVHVQQXTNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-9-19-14-7-5-12(6-8-14)15(18)17(2)13-10-16-11-13/h5-8,13,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide?
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide is sourced from PubChem (CID 66185454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).