2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide

C19H28N2O3 — CID 96549660

IUPAC2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
SMILESCCOCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)cc1
InChIInChI=1S/C19H28N2O3/c1-2-23-14-16-8-6-15(7-9-16)12-20-19(22)13-21-10-11-24-18-5-3-4-17(18)21/h6-9,17-18H,2-5,10-14H2,1H3,(H,20,22)/t17-,18+/m0/s1
InChIKeyYPKHBYUNEPXSAM-ZWKOTPCHSA-N
MW332.44 g/mol
LogP2.09
Rot. Bonds7

About 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide

2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide (PubChem CID 96549660) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
PubChem CID96549660
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
SMILESCCOCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)cc1
InChIInChI=1S/C19H28N2O3/c1-2-23-14-16-8-6-15(7-9-16)12-20-19(22)13-21-10-11-24-18-5-3-4-17(18)21/h6-9,17-18H,2-5,10-14H2,1H3,(H,20,22)/t17-,18+/m0/s1
InChIKeyYPKHBYUNEPXSAM-ZWKOTPCHSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[(5-ethylthiophen-2-yl)methyl]acetamide
CID 100892321
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56501460
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
CID 110016955
N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014006
N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 87017442
ethyl 2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]acetate
CID 124670169
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757002
2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
CID 96549639
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 87013977
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butan-2-one
CID 62039938
2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide
CID 105351843

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide (CID 96549660) is 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide is CCOCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)cc1.
What is the InChIKey of 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is YPKHBYUNEPXSAM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-23-14-16-8-6-15(7-9-16)12-20-19(22)13-21-10-11-24-18-5-3-4-17(18)21/h6-9,17-18H,2-5,10-14H2,1H3,(H,20,22)/t17-,18+/m0/s1.
What are the key properties of 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 96549660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).