(10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

C25H39N3O5 — CID 155993561

About (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

(10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (PubChem CID 155993561) has the molecular formula C25H39N3O5 and a molecular weight of 461.60 g/mol. Its IUPAC name is (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.

Molecular Properties

• Compound Name: (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
• PubChem CID: 155993561
• Molecular Formula: C25H39N3O5
• Molecular Weight: 461.60 g/mol
• Exact Mass: 461.29
• IUPAC Name: (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
• SMILES: CN1CCC2(CCCCN(C(=O)c3ccc(N(C)C)cc3)CC[C@H](O)[C@H](O)COC2=O)CC1
• InChI: InChI=1S/C25H39N3O5/c1-26(2)20-8-6-19(7-9-20)23(31)28-14-5-4-11-25(12-16-27(3)17-13-25)24(32)33-18-22(30)21(29)10-15-28/h6-9,21-22,29-30H,4-5,10-18H2,1-3H3/t21-,22+/m0/s1
• InChIKey: HZUQCKZCLWSZIV-FCHUYYIVSA-N
• XLogP: 1.75
• TPSA: 93.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.60
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?

The IUPAC name of (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (CID 155993561) is (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.

What is the SMILES notation for (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?

The canonical SMILES for (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is CN1CCC2(CCCCN(C(=O)c3ccc(N(C)C)cc3)CC[C@H](O)[C@H](O)COC2=O)CC1.

What is the InChIKey of (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?

The InChIKey is HZUQCKZCLWSZIV-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H39N3O5/c1-26(2)20-8-6-19(7-9-20)23(31)28-14-5-4-11-25(12-16-27(3)17-13-25)24(32)33-18-22(30)21(29)10-15-28/h6-9,21-22,29-30H,4-5,10-18H2,1-3H3/t21-,22+/m0/s1.

What are the key properties of (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?

(10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one has a molecular weight of 461.60 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is sourced from PubChem (CID 155993561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).