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

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

(1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 18557423) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	18557423
Molecular Formula	C24H32N2O4
Molecular Weight	412.53 g/mol
Exact Mass	412.24
IUPAC Name	(1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	COc1cccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)c1
InChI	InChI=1S/C24H32N2O4/c1-15(2)7-5-8-16(3)25-22(27)20-19-11-12-24(30-19)14-26(23(28)21(20)24)17-9-6-10-18(13-17)29-4/h6,9-13,15-16,19-21H,5,7-8,14H2,1-4H3,(H,25,27)/t16-,19+,20-,21+,24-/m1/s1
InChIKey	ZYQVPVZYFQKFEK-FKGMHWBQSA-N
XLogP	3.31
TPSA	67.87 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of (1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 18557423) is (1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is COc1cccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)c1.

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

The InChIKey is ZYQVPVZYFQKFEK-FKGMHWBQSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-15(2)7-5-8-16(3)25-22(27)20-19-11-12-24(30-19)14-26(23(28)21(20)24)17-9-6-10-18(13-17)29-4/h6,9-13,15-16,19-21H,5,7-8,14H2,1-4H3,(H,25,27)/t16-,19+,20-,21+,24-/m1/s1.

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

(1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R,6S,7S)-3-(3-methoxyphenyl)-N-[(2R)-6-methylheptan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 18557423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).