(1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione

C18H25NO3 — CID 11243620

IUPAC(1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione
SMILESC=CC[C@@H]1[C@H]2CCCC(=O)N3CC[C@H]([C@@H]4[C@H]1OC(=O)[C@H]4C)[C@@H]23
InChIInChI=1S/C18H25NO3/c1-3-5-12-11-6-4-7-14(20)19-9-8-13(16(11)19)15-10(2)18(21)22-17(12)15/h3,10-13,15-17H,1,4-9H2,2H3/t10-,11+,12+,13+,15+,16+,17-/m0/s1
InChIKeyYMPHIQBBRRWTAY-HSGCKKNESA-N
MW303.40 g/mol
LogP2.39
Rot. Bonds2

About (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione

(1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione (PubChem CID 11243620) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione.

Molecular Properties

Compound Name(1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione
PubChem CID11243620
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione
SMILESC=CC[C@@H]1[C@H]2CCCC(=O)N3CC[C@H]([C@@H]4[C@H]1OC(=O)[C@H]4C)[C@@H]23
InChIInChI=1S/C18H25NO3/c1-3-5-12-11-6-4-7-14(20)19-9-8-13(16(11)19)15-10(2)18(21)22-17(12)15/h3,10-13,15-17H,1,4-9H2,2H3/t10-,11+,12+,13+,15+,16+,17-/m0/s1
InChIKeyYMPHIQBBRRWTAY-HSGCKKNESA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione?
The IUPAC name of (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione (CID 11243620) is (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione.
What is the SMILES notation for (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione?
The canonical SMILES for (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione is C=CC[C@@H]1[C@H]2CCCC(=O)N3CC[C@H]([C@@H]4[C@H]1OC(=O)[C@H]4C)[C@@H]23.
What is the InChIKey of (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione?
The InChIKey is YMPHIQBBRRWTAY-HSGCKKNESA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-5-12-11-6-4-7-14(20)19-9-8-13(16(11)19)15-10(2)18(21)22-17(12)15/h3,10-13,15-17H,1,4-9H2,2H3/t10-,11+,12+,13+,15+,16+,17-/m0/s1.
What are the key properties of (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione?
(1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione has a molecular weight of 303.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione is sourced from PubChem (CID 11243620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).