N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide

C14H23N3O2P+ — CID 25198708

IUPACN-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide
SMILESCN1CCN(C)[P+]1(C)OCCNC(=O)c1ccccc1
InChIInChI=1S/C14H22N3O2P/c1-16-10-11-17(2)20(16,3)19-12-9-15-14(18)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/p+1
InChIKeyBIUZZMVLODTEQJ-UHFFFAOYSA-O
MW296.33 g/mol
LogP1.70
Rot. Bonds5

About N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide

N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide (PubChem CID 25198708) has the molecular formula C14H23N3O2P+ and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide
PubChem CID25198708
Molecular FormulaC14H23N3O2P+
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide
SMILESCN1CCN(C)[P+]1(C)OCCNC(=O)c1ccccc1
InChIInChI=1S/C14H22N3O2P/c1-16-10-11-17(2)20(16,3)19-12-9-15-14(18)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/p+1
InChIKeyBIUZZMVLODTEQJ-UHFFFAOYSA-O
XLogP1.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 166579726
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N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
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N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]benzamide
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N-[3-(4-aminopiperidin-1-yl)propyl]benzamide
CID 118533812
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
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CID 14952151
2-benzamidoethyl nitrate
CID 10536408
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CID 39985567

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide?
The IUPAC name of N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide (CID 25198708) is N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide.
What is the SMILES notation for N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide?
The canonical SMILES for N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide is CN1CCN(C)[P+]1(C)OCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide?
The InChIKey is BIUZZMVLODTEQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N3O2P/c1-16-10-11-17(2)20(16,3)19-12-9-15-14(18)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/p+1.
What are the key properties of N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide?
N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide has a molecular weight of 296.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,2,3-trimethyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxy]ethyl]benzamide is sourced from PubChem (CID 25198708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).