6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

C22H27N3O — CID 3256438

IUPAC6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESC=CCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C
InChIInChI=1S/C22H27N3O/c1-7-10-23-19(26)22-9-8-21(6,20(22,4)5)17-18(22)25-16-12-14(3)13(2)11-15(16)24-17/h7,11-12H,1,8-10H2,2-6H3,(H,23,26)
InChIKeyOMGKLJMCZSBLHA-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.88
Rot. Bonds3

About 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 3256438) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID3256438
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESC=CCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C
InChIInChI=1S/C22H27N3O/c1-7-10-23-19(26)22-9-8-21(6,20(22,4)5)17-18(22)25-16-12-14(3)13(2)11-15(16)24-17/h7,11-12H,1,8-10H2,2-6H3,(H,23,26)
InChIKeyOMGKLJMCZSBLHA-UHFFFAOYSA-N
XLogP3.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The IUPAC name of 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 3256438) is 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.
What is the SMILES notation for 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The canonical SMILES for 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is C=CCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C.
What is the InChIKey of 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is OMGKLJMCZSBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-7-10-23-19(26)22-9-8-21(6,20(22,4)5)17-18(22)25-16-12-14(3)13(2)11-15(16)24-17/h7,11-12H,1,8-10H2,2-6H3,(H,23,26).
What are the key properties of 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,12,15,15-pentamethyl-N-prop-2-enyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is sourced from PubChem (CID 3256438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).