N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide

C30H42N2O2 — CID 145393520

IUPACN-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)C2CCC3C4CNC5=CC(=O)CCC5(C)C4CCCC23C)c1
InChIInChI=1S/C30H42N2O2/c1-28(2,3)19-8-6-9-20(16-19)32-27(34)25-12-11-24-22-18-31-26-17-21(33)13-15-30(26,5)23(22)10-7-14-29(24,25)4/h6,8-9,16-17,22-25,31H,7,10-15,18H2,1-5H3,(H,32,34)
InChIKeyARLKEMGKNMJPEO-UHFFFAOYSA-N
MW462.68 g/mol
LogP6.23
Rot. Bonds2

About N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide

N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide (PubChem CID 145393520) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide
PubChem CID145393520
Molecular FormulaC30H42N2O2
Molecular Weight462.68 g/mol
Exact Mass462.32
IUPAC NameN-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)C2CCC3C4CNC5=CC(=O)CCC5(C)C4CCCC23C)c1
InChIInChI=1S/C30H42N2O2/c1-28(2,3)19-8-6-9-20(16-19)32-27(34)25-12-11-24-22-18-31-26-17-21(33)13-15-30(26,5)23(22)10-7-14-29(24,25)4/h6,8-9,16-17,22-25,31H,7,10-15,18H2,1-5H3,(H,32,34)
InChIKeyARLKEMGKNMJPEO-UHFFFAOYSA-N
XLogP6.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide with MolForge

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Related Compounds

(9aR,11aS)-N-(4-benzoylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
CID 176941740
(1S,9aR,11aS)-N-(2-tert-butyl-5-methylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide;(1S,9aR,11aS)-N-(2,5-ditert-butylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
CID 158677047
N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
CID 85110571
(8S,9S,10R,13S,14S,17S)-N-(3-fluorophenyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 68975826
(3aS,3bS,9aR,9bR,11aS)-N-(1-adamantyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
CID 67640367
(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-N,N-di(propan-2-yl)-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
CID 67640725
(3aS,3bS,9aR,9bR,11aS)-N-[1-(4-chlorophenyl)cyclopentyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
CID 67614899
(1S,9aR,11aS)-N-(2,5-ditert-butylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide;N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine
CID 134815681
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 68973403
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]spiro[2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-6,1'-cyclopropane]-17-carboxamide
CID 69026079
(8S,9S,10R,13S,14S)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 154065769
(9aR,11aS)-9a,11a-dimethyl-1-[2-[4-methyl-2-(trifluoromethoxy)phenyl]acetyl]-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one
CID 158303102

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide (CID 145393520) is N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide is CC(C)(C)c1cccc(NC(=O)C2CCC3C4CNC5=CC(=O)CCC5(C)C4CCCC23C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide?
The InChIKey is ARLKEMGKNMJPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O2/c1-28(2,3)19-8-6-9-20(16-19)32-27(34)25-12-11-24-22-18-31-26-17-21(33)13-15-30(26,5)23(22)10-7-14-29(24,25)4/h6,8-9,16-17,22-25,31H,7,10-15,18H2,1-5H3,(H,32,34).
What are the key properties of N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide?
N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide has a molecular weight of 462.68 g/mol, XLogP of 6.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-6,11-dimethyl-14-oxo-17-azatetracyclo[8.8.0.02,6.011,16]octadec-15-ene-5-carboxamide is sourced from PubChem (CID 145393520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).