(2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide

C20H26N2O3 — CID 129378329

IUPAC(2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CCO1
InChIInChI=1S/C20H26N2O3/c21-18(23)17-13-22(8-9-25-17)19(24)20(11-14-4-2-1-3-5-14)12-15-6-7-16(20)10-15/h1-5,15-17H,6-13H2,(H2,21,23)/t15-,16-,17+,20+/m0/s1
InChIKeyZBCCTTSYOJABGW-MIALQEHNSA-N
MW342.44 g/mol
LogP1.75
Rot. Bonds4

About (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide

(2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide (PubChem CID 129378329) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide
PubChem CID129378329
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CCO1
InChIInChI=1S/C20H26N2O3/c21-18(23)17-13-22(8-9-25-17)19(24)20(11-14-4-2-1-3-5-14)12-15-6-7-16(20)10-15/h1-5,15-17H,6-13H2,(H2,21,23)/t15-,16-,17+,20+/m0/s1
InChIKeyZBCCTTSYOJABGW-MIALQEHNSA-N
XLogP1.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide with MolForge

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Related Compounds

(2-benzyl-2-bicyclo[2.2.1]heptanyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71973265
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-benzyl-2-bicyclo[2.2.1]heptanyl)methanone
CID 120655774
(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-benzyl-2-bicyclo[2.2.1]heptanyl)methanone
CID 120807139
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
(1S,2R,4S)-2-benzyl-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98791951
(1S,2S,4S)-2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98208525
2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 132971237
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanone;hydrochloride
CID 120814897
2-benzyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 71980860
(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
CID 124777171

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide (CID 129378329) is (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CCO1.
What is the InChIKey of (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide?
The InChIKey is ZBCCTTSYOJABGW-MIALQEHNSA-N. The full InChI is InChI=1S/C20H26N2O3/c21-18(23)17-13-22(8-9-25-17)19(24)20(11-14-4-2-1-3-5-14)12-15-6-7-16(20)10-15/h1-5,15-17H,6-13H2,(H2,21,23)/t15-,16-,17+,20+/m0/s1.
What are the key properties of (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide?
(2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1S,2S,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 129378329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).