2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide

C21H28N2O4 — CID 98882162

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O4/c24-20(13-17-12-15-1-2-16(17)11-15)22-18-3-5-19(6-4-18)27-14-21(25)23-7-9-26-10-8-23/h3-6,15-17H,1-2,7-14H2,(H,22,24)/t15-,16-,17+/m0/s1
InChIKeyPOAKWYIOTXEORD-YESZJQIVSA-N
MW372.47 g/mol
LogP2.69
Rot. Bonds6

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide (PubChem CID 98882162) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
PubChem CID98882162
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O4/c24-20(13-17-12-15-1-2-16(17)11-15)22-18-3-5-19(6-4-18)27-14-21(25)23-7-9-26-10-8-23/h3-6,15-17H,1-2,7-14H2,(H,22,24)/t15-,16-,17+/m0/s1
InChIKeyPOAKWYIOTXEORD-YESZJQIVSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 11918943
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11932194
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 98599209
methyl 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoate
CID 43404005

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide (CID 98882162) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide is O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide?
The InChIKey is POAKWYIOTXEORD-YESZJQIVSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-20(13-17-12-15-1-2-16(17)11-15)22-18-3-5-19(6-4-18)27-14-21(25)23-7-9-26-10-8-23/h3-6,15-17H,1-2,7-14H2,(H,22,24)/t15-,16-,17+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide is sourced from PubChem (CID 98882162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).