N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide

C14H21N2O3+ — CID 10264784

IUPACN-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide
SMILESCC(O)C[N+]1(NC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-12(17)11-16(7-9-19-10-8-16)15-14(18)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3/p+1
InChIKeyNNVBZLFLNDMONB-UHFFFAOYSA-O
MW265.33 g/mol
LogP0.56
Rot. Bonds4

About N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide

N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide (PubChem CID 10264784) has the molecular formula C14H21N2O3+ and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide
PubChem CID10264784
Molecular FormulaC14H21N2O3+
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide
SMILESCC(O)C[N+]1(NC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-12(17)11-16(7-9-19-10-8-16)15-14(18)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3/p+1
InChIKeyNNVBZLFLNDMONB-UHFFFAOYSA-O
XLogP0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide?
The IUPAC name of N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide (CID 10264784) is N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide.
What is the SMILES notation for N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide?
The canonical SMILES for N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide is CC(O)C[N+]1(NC(=O)c2ccccc2)CCOCC1.
What is the InChIKey of N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide?
The InChIKey is NNVBZLFLNDMONB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O3/c1-12(17)11-16(7-9-19-10-8-16)15-14(18)13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3/p+1.
What are the key properties of N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide?
N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide has a molecular weight of 265.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropyl)morpholin-4-ium-4-yl]benzamide is sourced from PubChem (CID 10264784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).