N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide

C24H27N3O2 — CID 53140183

IUPACN-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCc3cn(CC(C)C)c4cccc(c34)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-16(2)13-27-15-20-11-12-26(14-19-5-4-6-22(27)23(19)20)24(29)18-7-9-21(10-8-18)25-17(3)28/h4-10,15-16H,11-14H2,1-3H3,(H,25,28)
InChIKeyJMIDIUHYEIQTKJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.45
Rot. Bonds4

About N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide

N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide (PubChem CID 53140183) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide
PubChem CID53140183
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCc3cn(CC(C)C)c4cccc(c34)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-16(2)13-27-15-20-11-12-26(14-19-5-4-6-22(27)23(19)20)24(29)18-7-9-21(10-8-18)25-17(3)28/h4-10,15-16H,11-14H2,1-3H3,(H,25,28)
InChIKeyJMIDIUHYEIQTKJ-UHFFFAOYSA-N
XLogP4.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
N-(4-ethylphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140337
ethyl N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]carbamate
CID 27659678
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
N-[4-(8-acetamido-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]prop-2-enamide
CID 166411781
N-(3-acetylphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140452
N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]acetamide
CID 18108201
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide (CID 53140183) is N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCc3cn(CC(C)C)c4cccc(c34)C2)cc1.
What is the InChIKey of N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide?
The InChIKey is JMIDIUHYEIQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16(2)13-27-15-20-11-12-26(14-19-5-4-6-22(27)23(19)20)24(29)18-7-9-21(10-8-18)25-17(3)28/h4-10,15-16H,11-14H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide?
N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide is sourced from PubChem (CID 53140183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).