N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide

C21H30N2O2 — CID 98460088

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H30N2O2/c24-21(12-19-11-17-6-7-18(19)10-17)22-13-20-15-23(8-9-25-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,22,24)/t17-,18-,19+,20+/m1/s1
InChIKeyZHHJOCMOABWWCP-ZRNYENFQSA-N
MW342.48 g/mol
LogP2.83
Rot. Bonds6

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 98460088) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID98460088
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H30N2O2/c24-21(12-19-11-17-6-7-18(19)10-17)22-13-20-15-23(8-9-25-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,22,24)/t17-,18-,19+,20+/m1/s1
InChIKeyZHHJOCMOABWWCP-ZRNYENFQSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119829834
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119829833
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[(4-benzylmorpholin-2-yl)methyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 43006679
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 98460088) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide is O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NC[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is ZHHJOCMOABWWCP-ZRNYENFQSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-21(12-19-11-17-6-7-18(19)10-17)22-13-20-15-23(8-9-25-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,22,24)/t17-,18-,19+,20+/m1/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 342.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 98460088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).