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

C29H37N3O — CID 3260251

IUPACN-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NC24CC5CC(CC(C5)C2)C4)CCC3(C)C1(C)C
InChIInChI=1S/C29H37N3O/c1-16-8-21-22(9-17(16)2)31-24-23(30-21)27(5)6-7-29(24,26(27,3)4)25(33)32-28-13-18-10-19(14-28)12-20(11-18)15-28/h8-9,18-20H,6-7,10-15H2,1-5H3,(H,32,33)
InChIKeyDQQCVNNARGABHX-UHFFFAOYSA-N
MW443.64 g/mol
LogP5.66
Rot. Bonds2

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

N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 3260251) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID3260251
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC NameN-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NC24CC5CC(CC(C5)C2)C4)CCC3(C)C1(C)C
InChIInChI=1S/C29H37N3O/c1-16-8-21-22(9-17(16)2)31-24-23(30-21)27(5)6-7-29(24,26(27,3)4)25(33)32-28-13-18-10-19(14-28)12-20(11-18)15-28/h8-9,18-20H,6-7,10-15H2,1-5H3,(H,32,33)
InChIKeyDQQCVNNARGABHX-UHFFFAOYSA-N
XLogP5.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantyl)-6,7,12,15,15-pentamethyl-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 N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 3260251) is N-(1-adamantyl)-6,7,12,15,15-pentamethyl-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 N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is Cc1cc2nc3c(nc2cc1C)C1(C(=O)NC24CC5CC(CC(C5)C2)C4)CCC3(C)C1(C)C.
What is the InChIKey of N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is DQQCVNNARGABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-16-8-21-22(9-17(16)2)31-24-23(30-21)27(5)6-7-29(24,26(27,3)4)25(33)32-28-13-18-10-19(14-28)12-20(11-18)15-28/h8-9,18-20H,6-7,10-15H2,1-5H3,(H,32,33).
What are the key properties of N-(1-adamantyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
N-(1-adamantyl)-6,7,12,15,15-pentamethyl-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 443.64 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6,7,12,15,15-pentamethyl-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 3260251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).