(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide

C19H29N3O3 — CID 120798334

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)[C@@H]2CC[C@H](CN)O2)CC(C)O1
InChIInChI=1S/C19H29N3O3/c1-13-10-22(11-14(2)24-13)12-15-5-3-4-6-17(15)21-19(23)18-8-7-16(9-20)25-18/h3-6,13-14,16,18H,7-12,20H2,1-2H3,(H,21,23)/t13?,14?,16-,18+/m1/s1
InChIKeyIIBWUPSTZGGEMQ-FLMHQWFMSA-N
MW347.46 g/mol
LogP1.74
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide (PubChem CID 120798334) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
PubChem CID120798334
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)[C@@H]2CC[C@H](CN)O2)CC(C)O1
InChIInChI=1S/C19H29N3O3/c1-13-10-22(11-14(2)24-13)12-15-5-3-4-6-17(15)21-19(23)18-8-7-16(9-20)25-18/h3-6,13-14,16,18H,7-12,20H2,1-2H3,(H,21,23)/t13?,14?,16-,18+/m1/s1
InChIKeyIIBWUPSTZGGEMQ-FLMHQWFMSA-N
XLogP1.74
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 120797858
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119852924
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 120799406
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120796874
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120796873
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
(2S,5R)-5-(aminomethyl)-N-[2-(phenylmethoxymethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787317
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797845

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide (CID 120798334) is (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide is CC1CN(Cc2ccccc2NC(=O)[C@@H]2CC[C@H](CN)O2)CC(C)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is IIBWUPSTZGGEMQ-FLMHQWFMSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-10-22(11-14(2)24-13)12-15-5-3-4-6-17(15)21-19(23)18-8-7-16(9-20)25-18/h3-6,13-14,16,18H,7-12,20H2,1-2H3,(H,21,23)/t13?,14?,16-,18+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.74, 5 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-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120798334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).