(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide

C16H20N2O3 — CID 97082159

IUPAC(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H20N2O3/c19-15-11-21-10-14(16(20)17-8-12-6-7-12)18(15)9-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,20)/t14-/m1/s1
InChIKeyIAIHQULBHSDVLC-CQSZACIVSA-N
MW288.35 g/mol
LogP0.94
Rot. Bonds5

About (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide

(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide (PubChem CID 97082159) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
PubChem CID97082159
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H20N2O3/c19-15-11-21-10-14(16(20)17-8-12-6-7-12)18(15)9-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,20)/t14-/m1/s1
InChIKeyIAIHQULBHSDVLC-CQSZACIVSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
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
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 56766019
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
CID 5188811
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 97074669
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide (CID 97082159) is (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide is O=C(NCC1CC1)[C@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is IAIHQULBHSDVLC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-11-21-10-14(16(20)17-8-12-6-7-12)18(15)9-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide?
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 97082159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).