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

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

(1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 70745970) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is (1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	70745970
Molecular Formula	C21H25N3O5
Molecular Weight	399.45 g/mol
Exact Mass	399.18
IUPAC Name	(1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	CNC(=O)CN(C)C(=O)C1C2C(=O)N(Cc3cccc(OC)c3)C[C@@]23C=C[C@@H]1O3
InChI	InChI=1S/C21H25N3O5/c1-22-16(25)11-23(2)19(26)17-15-7-8-21(29-15)12-24(20(27)18(17)21)10-13-5-4-6-14(9-13)28-3/h4-9,15,17-18H,10-12H2,1-3H3,(H,22,25)/t15-,17?,18?,21-/m0/s1
InChIKey	GZQJLUMMJAQIFG-NSUOALMASA-N
XLogP	0.18
TPSA	88.18 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	0.18
H-Bond Donors ≤ 5	1
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 (1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 70745970) is (1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CNC(=O)CN(C)C(=O)C1C2C(=O)N(Cc3cccc(OC)c3)C[C@@]23C=C[C@@H]1O3.

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

The InChIKey is GZQJLUMMJAQIFG-NSUOALMASA-N. The full InChI is InChI=1S/C21H25N3O5/c1-22-16(25)11-23(2)19(26)17-15-7-8-21(29-15)12-24(20(27)18(17)21)10-13-5-4-6-14(9-13)28-3/h4-9,15,17-18H,10-12H2,1-3H3,(H,22,25)/t15-,17?,18?,21-/m0/s1.

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

(1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7S)-3-[(3-methoxyphenyl)methyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 70745970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).