(1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

About (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

(1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 164632083) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name	(1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID	164632083
Molecular Formula	C27H35N3O5
Molecular Weight	481.59 g/mol
Exact Mass	481.26
IUPAC Name	(1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILES	CCC(C)N1C(=O)[C@H]2C(C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)C1C(=O)NC1CCCCC1
InChI	InChI=1S/C27H35N3O5/c1-4-16(2)30-23(25(32)29-17-8-6-5-7-9-17)27-15-14-20(35-27)21(22(27)26(30)33)24(31)28-18-10-12-19(34-3)13-11-18/h10-17,20-23H,4-9H2,1-3H3,(H,28,31)(H,29,32)/t16?,20-,21?,22-,23?,27+/m1/s1
InChIKey	RHZQOLSVEPBLKM-HWVIRKPCSA-N
XLogP	3.03
TPSA	96.97 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.59
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The IUPAC name of (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 164632083) is (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

What is the SMILES notation for (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The canonical SMILES for (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is CCC(C)N1C(=O)[C@H]2C(C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)C1C(=O)NC1CCCCC1.

What is the InChIKey of (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The InChIKey is RHZQOLSVEPBLKM-HWVIRKPCSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-4-16(2)30-23(25(32)29-17-8-6-5-7-9-17)27-15-14-20(35-27)21(22(27)26(30)33)24(31)28-18-10-12-19(34-3)13-11-18/h10-17,20-23H,4-9H2,1-3H3,(H,28,31)(H,29,32)/t16?,20-,21?,22-,23?,27+/m1/s1.

What are the key properties of (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

(1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 481.59 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5S,7R)-3-butan-2-yl-2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 164632083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).