(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride

C19H31Cl2N3O3 — CID 120798775

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)[C@@H]2CC[C@H](CN)O2)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-14-2-4-15(5-3-14)17(22-8-10-24-11-9-22)13-21-19(23)18-7-6-16(12-20)25-18;;/h2-5,16-18H,6-13,20H2,1H3,(H,21,23);2*1H/t16-,17?,18+;;/m1../s1
InChIKeyWIEFSNFEBHGSMG-XTEPDJILSA-N
MW420.38 g/mol
LogP1.83
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120798775) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120798775
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)[C@@H]2CC[C@H](CN)O2)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-14-2-4-15(5-3-14)17(22-8-10-24-11-9-22)13-21-19(23)18-7-6-16(12-20)25-18;;/h2-5,16-18H,6-13,20H2,1H3,(H,21,23);2*1H/t16-,17?,18+;;/m1../s1
InChIKeyWIEFSNFEBHGSMG-XTEPDJILSA-N
XLogP1.83
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)oxolane-2-carboxamide
CID 120797014
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798751
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859900
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
CID 55900196
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120794703
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119859906
(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 119859917

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride (CID 120798775) is (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride is Cc1ccc(C(CNC(=O)[C@@H]2CC[C@H](CN)O2)N2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is WIEFSNFEBHGSMG-XTEPDJILSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c1-14-2-4-15(5-3-14)17(22-8-10-24-11-9-22)13-21-19(23)18-7-6-16(12-20)25-18;;/h2-5,16-18H,6-13,20H2,1H3,(H,21,23);2*1H/t16-,17?,18+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120798775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).