2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide

C22H28N2O2 — CID 55827722

IUPAC2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCOC2CCCCC21)c1ccc2ccccc2c1
InChIInChI=1S/C22H28N2O2/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)23-22(25)15-24-12-13-26-21-9-5-4-8-20(21)24/h2-3,6-7,10-11,14,16,20-21H,4-5,8-9,12-13,15H2,1H3,(H,23,25)
InChIKeyZKUHRVULEXGHLY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.66
Rot. Bonds4

About 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 55827722) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID55827722
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCOC2CCCCC21)c1ccc2ccccc2c1
InChIInChI=1S/C22H28N2O2/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)23-22(25)15-24-12-13-26-21-9-5-4-8-20(21)24/h2-3,6-7,10-11,14,16,20-21H,4-5,8-9,12-13,15H2,1H3,(H,23,25)
InChIKeyZKUHRVULEXGHLY-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-methylmorpholin-4-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 98449703
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703547
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(3R)-2-methyl-4-oxopentan-3-yl]acetamide
CID 100896865
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501329
(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 90114971
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
methyl 2-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112769331
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
(3S,4S)-4-methyl-1-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 122120938

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide (CID 55827722) is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide is CC(NC(=O)CN1CCOC2CCCCC21)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is ZKUHRVULEXGHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)23-22(25)15-24-12-13-26-21-9-5-4-8-20(21)24/h2-3,6-7,10-11,14,16,20-21H,4-5,8-9,12-13,15H2,1H3,(H,23,25).
What are the key properties of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 55827722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).