(1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

C25H37N3O4 — CID 98110811

IUPAC(1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESCC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C25H37N3O4/c1-23(2,3)28-19(21(30)27-16-11-7-8-12-16)25-14-13-24(4,32-25)17(18(25)22(28)31)20(29)26-15-9-5-6-10-15/h13-19H,5-12H2,1-4H3,(H,26,29)(H,27,30)/t17-,18+,19-,24-,25-/m1/s1
InChIKeyFBXMFZTWOZKAKG-MTVYNVTBSA-N
MW443.59 g/mol
LogP2.44
Rot. Bonds4

About (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

(1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 98110811) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name(1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID98110811
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Name(1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESCC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C25H37N3O4/c1-23(2,3)28-19(21(30)27-16-11-7-8-12-16)25-14-13-24(4,32-25)17(18(25)22(28)31)20(29)26-15-9-5-6-10-15/h13-19H,5-12H2,1-4H3,(H,26,29)(H,27,30)/t17-,18+,19-,24-,25-/m1/s1
InChIKeyFBXMFZTWOZKAKG-MTVYNVTBSA-N
XLogP2.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(5R,7S)-3-tert-butyl-2-N-cyclohexyl-6-N-(3,4-dichlorophenyl)-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 87050024
(1S,2S,5R,6R,7R)-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 124765297
(1R,2S,5R,6S,7R)-2-N-tert-butyl-6-N-cyclohexyl-3-cyclopropyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 98110889
(1S,2R,5R,6R,7R)-2-N-cyclopentyl-6-N-[(4-fluorophenyl)methyl]-7-methyl-3-(2-methylbutan-2-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 100911495
3-benzyl-2-N-cyclopentyl-6-N-cyclopropyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 3220185
(1R,2S,5R,6S,7S)-3-[(4-chlorophenyl)methyl]-2-N,6-N-dicyclohexyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 98110865
(1R,2S,5R,6R,7S)-3-[(4-chlorophenyl)methyl]-2-N,6-N-dicyclohexyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 124766268
2-N-tert-butyl-6-N-cyclohexyl-7-methyl-3-(3-methylbutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 3220081
(1S,2R,5R,6S,7R)-2-N-tert-butyl-6-N-cyclohexyl-7-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 124766301
(1S,2R,5R,6S,7R)-2-N-cyclohexyl-3-(2-methoxyethyl)-7-methyl-6-N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 124766264
2-N,6-N-dicyclohexyl-3-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 3220093
(1R,2S,5R,6S,7S)-2-N,6-N-dicyclohexyl-3-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 98110893

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The IUPAC name of (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 98110811) is (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.
What is the SMILES notation for (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The canonical SMILES for (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1.
What is the InChIKey of (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The InChIKey is FBXMFZTWOZKAKG-MTVYNVTBSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-23(2,3)28-19(21(30)27-16-11-7-8-12-16)25-14-13-24(4,32-25)17(18(25)22(28)31)20(29)26-15-9-5-6-10-15/h13-19H,5-12H2,1-4H3,(H,26,29)(H,27,30)/t17-,18+,19-,24-,25-/m1/s1.
What are the key properties of (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
(1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 443.59 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S,7R)-3-tert-butyl-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 98110811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).