4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C17H25N2O3+ — CID 6946389

IUPAC4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c20-17(18-12-16-2-1-9-22-16)15-5-3-14(4-6-15)13-19-7-10-21-11-8-19/h3-6,16H,1-2,7-13H2,(H,18,20)/p+1/t16-/m0/s1
InChIKeyYIFXVDKWNGRPSP-INIZCTEOSA-O
MW305.40 g/mol
LogP0.01
Rot. Bonds5

About 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 6946389) has the molecular formula C17H25N2O3+ and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID6946389
Molecular FormulaC17H25N2O3+
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c20-17(18-12-16-2-1-9-22-16)15-5-3-14(4-6-15)13-19-7-10-21-11-8-19/h3-6,16H,1-2,7-13H2,(H,18,20)/p+1/t16-/m0/s1
InChIKeyYIFXVDKWNGRPSP-INIZCTEOSA-O
XLogP0.01
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 6970343
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 6946389) is 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YIFXVDKWNGRPSP-INIZCTEOSA-O. The full InChI is InChI=1S/C17H24N2O3/c20-17(18-12-16-2-1-9-22-16)15-5-3-14(4-6-15)13-19-7-10-21-11-8-19/h3-6,16H,1-2,7-13H2,(H,18,20)/p+1/t16-/m0/s1.
What are the key properties of 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 305.40 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 6946389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).