5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione

C34H38N2O3 — CID 134506389

IUPAC5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N([C@H]2CCC3=CC4=CC[C@]5(C)C(c6ccc7ccccc7c6)CC[C@H]5C45CC[C@]3(C2)O5)C1=O
InChIInChI=1S/C34H38N2O3/c1-31(2)29(37)36(30(38)35-31)26-11-10-24-19-25-14-15-32(3)27(23-9-8-21-6-4-5-7-22(21)18-23)12-13-28(32)34(25)17-16-33(24,20-26)39-34/h4-9,14,18-19,26-28H,10-13,15-17,20H2,1-3H3,(H,35,38)/t26-,27?,28+,32+,33+,34?/m0/s1
InChIKeyTYFROIRSUVPBAN-VRHFDULNSA-N
MW522.69 g/mol
LogP6.78
Rot. Bonds2

About 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione

5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione (PubChem CID 134506389) has the molecular formula C34H38N2O3 and a molecular weight of 522.69 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione
PubChem CID134506389
Molecular FormulaC34H38N2O3
Molecular Weight522.69 g/mol
Exact Mass522.29
IUPAC Name5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N([C@H]2CCC3=CC4=CC[C@]5(C)C(c6ccc7ccccc7c6)CC[C@H]5C45CC[C@]3(C2)O5)C1=O
InChIInChI=1S/C34H38N2O3/c1-31(2)29(37)36(30(38)35-31)26-11-10-24-19-25-14-15-32(3)27(23-9-8-21-6-4-5-7-22(21)18-23)12-13-28(32)34(25)17-16-33(24,20-26)39-34/h4-9,14,18-19,26-28H,10-13,15-17,20H2,1-3H3,(H,35,38)/t26-,27?,28+,32+,33+,34?/m0/s1
InChIKeyTYFROIRSUVPBAN-VRHFDULNSA-N
XLogP6.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5,5-dimethyl-3-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione
CID 134506362
7-[(2R,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-7-azabicyclo[2.2.1]heptane
CID 134506329
1-[(1S,2R,5S,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]pyrrolidine
CID 126501996
1-[(1S,2R,5S,6R,14S)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]azetidin-3-ol
CID 159457175
(1S,2R,5S,6R,14R,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-ol
CID 134590200
(1S,2R,5S,6R,14S,16R)-N-cyclopropyl-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
CID 126502014
(1S,2R,5S,6R,14R,16R)-6-methyl-N-(3-methyloxetan-3-yl)-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
CID 126502020
(1S,2R,5S,6R,14S)-N,6-dimethyl-5-naphthalen-2-yl-N-propan-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
CID 160528441
(2R,5S,6R,14R,16R)-N,6-dimethyl-5-naphthalen-2-yl-N-(trideuteriomethyl)-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine oxide
CID 157201699
4-[(1S,2R,5S,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-4-oxidomorpholin-4-ium
CID 126502067
(1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
CID 126502010
7-[(1S)-14-(aziridin-1-yl)-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-5-yl]isoquinoline
CID 145187072

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione (CID 134506389) is 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione is CC1(C)NC(=O)N([C@H]2CCC3=CC4=CC[C@]5(C)C(c6ccc7ccccc7c6)CC[C@H]5C45CC[C@]3(C2)O5)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione?
The InChIKey is TYFROIRSUVPBAN-VRHFDULNSA-N. The full InChI is InChI=1S/C34H38N2O3/c1-31(2)29(37)36(30(38)35-31)26-11-10-24-19-25-14-15-32(3)27(23-9-8-21-6-4-5-7-22(21)18-23)12-13-28(32)34(25)17-16-33(24,20-26)39-34/h4-9,14,18-19,26-28H,10-13,15-17,20H2,1-3H3,(H,35,38)/t26-,27?,28+,32+,33+,34?/m0/s1.
What are the key properties of 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione has a molecular weight of 522.69 g/mol, XLogP of 6.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2R,6R,14S,16R)-6-methyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 134506389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).