(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide

C18H20N4O3 — CID 97074669

IUPAC(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCc1nccc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1
InChIInChI=1S/C18H20N4O3/c1-13-19-8-7-15(21-13)9-20-18(24)16-11-25-12-17(23)22(16)10-14-5-3-2-4-6-14/h2-8,16H,9-12H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyGOSUKVSEWCBAGZ-MRXNPFEDSA-N
MW340.38 g/mol
LogP0.83
Rot. Bonds5

About (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide

(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide (PubChem CID 97074669) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
PubChem CID97074669
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCc1nccc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1
InChIInChI=1S/C18H20N4O3/c1-13-19-8-7-15(21-13)9-20-18(24)16-11-25-12-17(23)22(16)10-14-5-3-2-4-6-14/h2-8,16H,9-12H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyGOSUKVSEWCBAGZ-MRXNPFEDSA-N
XLogP0.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95985544
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-4-benzyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95368620
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
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
(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97066023
(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 95368623
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3S)-4-benzyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97075645

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide (CID 97074669) is (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide is Cc1nccc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1.
What is the InChIKey of (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is GOSUKVSEWCBAGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-19-8-7-15(21-13)9-20-18(24)16-11-25-12-17(23)22(16)10-14-5-3-2-4-6-14/h2-8,16H,9-12H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide?
(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 97074669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).