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

C18H24N2O3 — CID 155497915

IUPAC4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@H]2[C@H]3CN(C)C[C@]34CC[C@H]2O4)cc1
InChIInChI=1S/C18H24N2O3/c1-20-10-15-14(16-7-8-18(15,11-20)23-16)9-19-17(21)12-3-5-13(22-2)6-4-12/h3-6,14-16H,7-11H2,1-2H3,(H,19,21)/t14-,15+,16+,18+/m0/s1
InChIKeyKOASNDSTPZFFDA-BVIKNXMNSA-N
MW316.40 g/mol
LogP1.53
Rot. Bonds4

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

4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide (PubChem CID 155497915) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
PubChem CID155497915
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@H]2[C@H]3CN(C)C[C@]34CC[C@H]2O4)cc1
InChIInChI=1S/C18H24N2O3/c1-20-10-15-14(16-7-8-18(15,11-20)23-16)9-19-17(21)12-3-5-13(22-2)6-4-12/h3-6,14-16H,7-11H2,1-2H3,(H,19,21)/t14-,15+,16+,18+/m0/s1
InChIKeyKOASNDSTPZFFDA-BVIKNXMNSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
The IUPAC name of 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) is 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide is COc1ccc(C(=O)NC[C@H]2[C@H]3CN(C)C[C@]34CC[C@H]2O4)cc1.
What is the InChIKey of 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
The InChIKey is KOASNDSTPZFFDA-BVIKNXMNSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20-10-15-14(16-7-8-18(15,11-20)23-16)9-19-17(21)12-3-5-13(22-2)6-4-12/h3-6,14-16H,7-11H2,1-2H3,(H,19,21)/t14-,15+,16+,18+/m0/s1.
What are the key properties of 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide?
4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide is sourced from PubChem (CID 155497915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).