4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride

C19H32Cl2N4O3 — CID 120941429

IUPAC4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
SMILESCN(C)CCNC(=O)c1ccc(CNC(=O)C2(CN)CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-23(2)10-9-21-17(24)16-5-3-15(4-6-16)13-22-18(25)19(14-20)7-11-26-12-8-19;;/h3-6H,7-14,20H2,1-2H3,(H,21,24)(H,22,25);2*1H
InChIKeyLAOAVMQHUXGLRF-UHFFFAOYSA-N
MW435.40 g/mol
LogP1.19
Rot. Bonds8

About 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120941429) has the molecular formula C19H32Cl2N4O3 and a molecular weight of 435.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120941429
Molecular FormulaC19H32Cl2N4O3
Molecular Weight435.40 g/mol
Exact Mass434.19
IUPAC Name4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
SMILESCN(C)CCNC(=O)c1ccc(CNC(=O)C2(CN)CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-23(2)10-9-21-17(24)16-5-3-15(4-6-16)13-22-18(25)19(14-20)7-11-26-12-8-19;;/h3-6H,7-14,20H2,1-2H3,(H,21,24)(H,22,25);2*1H
InChIKeyLAOAVMQHUXGLRF-UHFFFAOYSA-N
XLogP1.19
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119881589
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]oxane-4-carboxamide
CID 120938252
4-(aminomethyl)-N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120923512
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
4-(aminomethyl)-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]oxane-4-carboxamide;hydrochloride
CID 120921353
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
CID 106390797
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
4-(aminomethyl)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120934997

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride (CID 120941429) is 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride is CN(C)CCNC(=O)c1ccc(CNC(=O)C2(CN)CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is LAOAVMQHUXGLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.2ClH/c1-23(2)10-9-21-17(24)16-5-3-15(4-6-16)13-22-18(25)19(14-20)7-11-26-12-8-19;;/h3-6H,7-14,20H2,1-2H3,(H,21,24)(H,22,25);2*1H.
What are the key properties of 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 435.40 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120941429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).