4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride

C19H31Cl2N3O3 — CID 120942564

IUPAC4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCc1ccc(CNC(=O)C2(CN)CCOCC2)c(N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-15-2-3-16(17(12-15)22-6-10-25-11-7-22)13-21-18(23)19(14-20)4-8-24-9-5-19;;/h2-3,12H,4-11,13-14,20H2,1H3,(H,21,23);2*1H
InChIKeyVSLCRTDPKDVQKI-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.05
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120942564) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120942564
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCc1ccc(CNC(=O)C2(CN)CCOCC2)c(N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-15-2-3-16(17(12-15)22-6-10-25-11-7-22)13-21-18(23)19(14-20)4-8-24-9-5-19;;/h2-3,12H,4-11,13-14,20H2,1H3,(H,21,23);2*1H
InChIKeyVSLCRTDPKDVQKI-UHFFFAOYSA-N
XLogP2.05
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride 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

4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801276
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
CID 117111098
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120801274
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea
CID 167747139
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
4-(aminomethyl)-N-[(2-bromo-4-fluorophenyl)methyl]oxane-4-carboxamide
CID 120926389
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
CID 117115698

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride (CID 120942564) is 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride is Cc1ccc(CNC(=O)C2(CN)CCOCC2)c(N2CCOCC2)c1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is VSLCRTDPKDVQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c1-15-2-3-16(17(12-15)22-6-10-25-11-7-22)13-21-18(23)19(14-20)4-8-24-9-5-19;;/h2-3,12H,4-11,13-14,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120942564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).