N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide

C19H26N2O3 — CID 155501401

IUPACN-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC[C@H]2[C@H]3CN(C)C[C@]34CC[C@H]2O4)cc1
InChIInChI=1S/C19H26N2O3/c1-13-3-5-14(6-4-13)23-11-18(22)20-9-15-16-10-21(2)12-19(16)8-7-17(15)24-19/h3-6,15-17H,7-12H2,1-2H3,(H,20,22)/t15-,16+,17+,19+/m0/s1
InChIKeyOACGWYMEHHLYPT-DODZYUBVSA-N
MW330.43 g/mol
LogP1.60
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide

N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 155501401) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide
PubChem CID155501401
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC[C@H]2[C@H]3CN(C)C[C@]34CC[C@H]2O4)cc1
InChIInChI=1S/C19H26N2O3/c1-13-3-5-14(6-4-13)23-11-18(22)20-9-15-16-10-21(2)12-19(16)8-7-17(15)24-19/h3-6,15-17H,7-12H2,1-2H3,(H,20,22)/t15-,16+,17+,19+/m0/s1
InChIKeyOACGWYMEHHLYPT-DODZYUBVSA-N
XLogP1.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide with MolForge

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Related Compounds

4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155497915
formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155971595
2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155502672
2-[(1S,5S,6R,7R)-6-[[3-(4-methylphenyl)propanoylamino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid
CID 155497788
2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155501317
4-methyl-N-[[(1S,5S,6R,7R)-3-[2-(1-methylimidazol-2-yl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155498850
N-[[(1S,5S,6R,7R)-3-(cyclobutylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(4-methylphenyl)propanamide;formic acid
CID 155940343
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-[[(1S,5S,6R,7R)-3-(2-aminopyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methylbenzamide
CID 155507632
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
3-methyl-N-[[(1S,5S,6R,7R)-3-(2-methylbenzoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
CID 155498490
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide (CID 155501401) is N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC[C@H]2[C@H]3CN(C)C[C@]34CC[C@H]2O4)cc1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OACGWYMEHHLYPT-DODZYUBVSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-3-5-14(6-4-13)23-11-18(22)20-9-15-16-10-21(2)12-19(16)8-7-17(15)24-19/h3-6,15-17H,7-12H2,1-2H3,(H,20,22)/t15-,16+,17+,19+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide?
N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 155501401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).