(1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione

C30H30N2O4 — CID 162921841

IUPAC(1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione
SMILESCn1c2c(c(=O)c3ccccc31)[C@H]1[C@@H]([C@H]3CC[C@]1(C)Oc1c3c(=O)n(C)c3ccccc13)C(C)(C)O2
InChIInChI=1S/C30H30N2O4/c1-29(2)23-18-14-15-30(3,35-26-17-11-7-9-13-20(17)31(4)27(34)21(18)26)24(23)22-25(33)16-10-6-8-12-19(16)32(5)28(22)36-29/h6-13,18,23-24H,14-15H2,1-5H3/t18-,23+,24-,30-/m0/s1
InChIKeyYBFKSHCNHPNJAP-UBCZKWHASA-N
MW482.58 g/mol
LogP4.99
Rot. Bonds

About (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione

(1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione (PubChem CID 162921841) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione.

Molecular Properties

Compound Name(1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione
PubChem CID162921841
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name(1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione
SMILESCn1c2c(c(=O)c3ccccc31)[C@H]1[C@@H]([C@H]3CC[C@]1(C)Oc1c3c(=O)n(C)c3ccccc13)C(C)(C)O2
InChIInChI=1S/C30H30N2O4/c1-29(2)23-18-14-15-30(3,35-26-17-11-7-9-13-20(17)31(4)27(34)21(18)26)24(23)22-25(33)16-10-6-8-12-19(16)32(5)28(22)36-29/h6-13,18,23-24H,14-15H2,1-5H3/t18-,23+,24-,30-/m0/s1
InChIKeyYBFKSHCNHPNJAP-UBCZKWHASA-N
XLogP4.99
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-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 (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione?
The IUPAC name of (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione (CID 162921841) is (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione.
What is the SMILES notation for (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione?
The canonical SMILES for (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione is Cn1c2c(c(=O)c3ccccc31)[C@H]1[C@@H]([C@H]3CC[C@]1(C)Oc1c3c(=O)n(C)c3ccccc13)C(C)(C)O2.
What is the InChIKey of (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione?
The InChIKey is YBFKSHCNHPNJAP-UBCZKWHASA-N. The full InChI is InChI=1S/C30H30N2O4/c1-29(2)23-18-14-15-30(3,35-26-17-11-7-9-13-20(17)31(4)27(34)21(18)26)24(23)22-25(33)16-10-6-8-12-19(16)32(5)28(22)36-29/h6-13,18,23-24H,14-15H2,1-5H3/t18-,23+,24-,30-/m0/s1.
What are the key properties of (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione?
(1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione has a molecular weight of 482.58 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,15R,16R)-1,11,14,14,19-pentamethyl-13,27-dioxa-11,19-diazaheptacyclo[14.11.2.02,15.03,12.05,10.017,26.020,25]nonacosa-3(12),5,7,9,17(26),20,22,24-octaene-4,18-dione is sourced from PubChem (CID 162921841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).