N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide

C20H22N2O5 — CID 155497148

IUPACN-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
SMILESCc1ccoc1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccoc3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H22N2O5/c1-12-3-7-26-17(12)19(24)22-9-15-14(16-2-5-20(15,11-22)27-16)8-21-18(23)13-4-6-25-10-13/h3-4,6-7,10,14-16H,2,5,8-9,11H2,1H3,(H,21,23)/t14-,15+,16+,20+/m0/s1
InChIKeyLAZSTVKHGHIDQV-QCBUCWTNSA-N
MW370.41 g/mol
LogP2.23
Rot. Bonds4

About N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide

N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide (PubChem CID 155497148) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
PubChem CID155497148
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
SMILESCc1ccoc1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccoc3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H22N2O5/c1-12-3-7-26-17(12)19(24)22-9-15-14(16-2-5-20(15,11-22)27-16)8-21-18(23)13-4-6-25-10-13/h3-4,6-7,10,14-16H,2,5,8-9,11H2,1H3,(H,21,23)/t14-,15+,16+,20+/m0/s1
InChIKeyLAZSTVKHGHIDQV-QCBUCWTNSA-N
XLogP2.23
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide (CID 155497148) is N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide is Cc1ccoc1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccoc3)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
The InChIKey is LAZSTVKHGHIDQV-QCBUCWTNSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12-3-7-26-17(12)19(24)22-9-15-14(16-2-5-20(15,11-22)27-16)8-21-18(23)13-4-6-25-10-13/h3-4,6-7,10,14-16H,2,5,8-9,11H2,1H3,(H,21,23)/t14-,15+,16+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 155497148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).