12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C24H32N4O2 — CID 5159448

IUPAC12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)NCCCN3CCOCC3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H32N4O2/c1-22(2)23(3)9-10-24(22,20-19(23)26-17-7-4-5-8-18(17)27-20)21(29)25-11-6-12-28-13-15-30-16-14-28/h4-5,7-8H,6,9-16H2,1-3H3,(H,25,29)
InChIKeyIBMPQZZGVREAHD-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.80
Rot. Bonds5

About 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 5159448) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID5159448
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)NCCCN3CCOCC3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H32N4O2/c1-22(2)23(3)9-10-24(22,20-19(23)26-17-7-4-5-8-18(17)27-20)21(29)25-11-6-12-28-13-15-30-16-14-28/h4-5,7-8H,6,9-16H2,1-3H3,(H,25,29)
InChIKeyIBMPQZZGVREAHD-UHFFFAOYSA-N
XLogP2.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Related Compounds

(1S,12S)-N-(1,3-benzodioxol-5-ylmethyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 1299087
12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 4728814
7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834163
7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834323
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 91946116
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 5159448) is 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)NCCCN3CCOCC3)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is IBMPQZZGVREAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-22(2)23(3)9-10-24(22,20-19(23)26-17-7-4-5-8-18(17)27-20)21(29)25-11-6-12-28-13-15-30-16-14-28/h4-5,7-8H,6,9-16H2,1-3H3,(H,25,29).
What are the key properties of 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 5159448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).