N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride

C21H27ClN2O2 — CID 15345

IUPACN-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride
SMILESO=C(c1ccccc1)N(CCC[NH+]1CCOCC1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C21H26N2O2.ClH/c24-21(20-10-5-2-6-11-20)23(18-19-8-3-1-4-9-19)13-7-12-22-14-16-25-17-15-22;/h1-6,8-11H,7,12-18H2;1H
InChIKeyPHXAEQYBZCTMRV-UHFFFAOYSA-N
MW374.91 g/mol
LogP-1.36
Rot. Bonds7

About N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride

N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride (PubChem CID 15345) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride.

Molecular Properties

Compound NameN-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride
PubChem CID15345
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride
SMILESO=C(c1ccccc1)N(CCC[NH+]1CCOCC1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C21H26N2O2.ClH/c24-21(20-10-5-2-6-11-20)23(18-19-8-3-1-4-9-19)13-7-12-22-14-16-25-17-15-22;/h1-6,8-11H,7,12-18H2;1H
InChIKeyPHXAEQYBZCTMRV-UHFFFAOYSA-N
XLogP-1.36
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7440055
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 41109334
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride
CID 137321489
N-benzyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 11119991
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7615555
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
CID 7615509

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride?
The IUPAC name of N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride (CID 15345) is N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride.
What is the SMILES notation for N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride?
The canonical SMILES for N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride is O=C(c1ccccc1)N(CCC[NH+]1CCOCC1)Cc1ccccc1.[Cl-].
What is the InChIKey of N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride?
The InChIKey is PHXAEQYBZCTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c24-21(20-10-5-2-6-11-20)23(18-19-8-3-1-4-9-19)13-7-12-22-14-16-25-17-15-22;/h1-6,8-11H,7,12-18H2;1H.
What are the key properties of N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride?
N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride has a molecular weight of 374.91 g/mol, XLogP of -1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride is sourced from PubChem (CID 15345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).