(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride

C18H28ClN3O3 — CID 119641724

IUPAC(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-3-18(19,4-2)13-20-17(23)15-11-24-12-16(22)21(15)10-14-8-6-5-7-9-14;/h5-9,15H,3-4,10-13,19H2,1-2H3,(H,20,23);1H/t15-;/m1./s1
InChIKeySFRLYQWDFIVGJN-XFULWGLBSA-N
MW369.89 g/mol
LogP1.47
Rot. Bonds7

About (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride

(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride (PubChem CID 119641724) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
PubChem CID119641724
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-3-18(19,4-2)13-20-17(23)15-11-24-12-16(22)21(15)10-14-8-6-5-7-9-14;/h5-9,15H,3-4,10-13,19H2,1-2H3,(H,20,23);1H/t15-;/m1./s1
InChIKeySFRLYQWDFIVGJN-XFULWGLBSA-N
XLogP1.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014
4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 56766019
(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 97074669
N-(2-amino-2-ethylbutyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119641392
(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide
CID 95985527
(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120887123
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119602840
(3R)-4-benzyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95368620

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride (CID 119641724) is (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.Cl.
What is the InChIKey of (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
The InChIKey is SFRLYQWDFIVGJN-XFULWGLBSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-3-18(19,4-2)13-20-17(23)15-11-24-12-16(22)21(15)10-14-8-6-5-7-9-14;/h5-9,15H,3-4,10-13,19H2,1-2H3,(H,20,23);1H/t15-;/m1./s1.
What are the key properties of (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119641724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).